103 results on '"Jong-Ha Choi"'
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2. Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane bis(perchlorate) from synchrotron X-ray data
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Dohyun Moon, Sunghwan Jeon, and Jong-Ha Choi
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crystal structure ,protonated macrocycle ,perchlorate ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of the title salt, C20H42N42+·2ClO4−, has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H...N, and intermolecular N—H...O and C–H...O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network.
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- 2021
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3. Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,macrocycle ,diaquacopper(ii) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of the novel hydrated CuII salt, [Cu(L)(H2O)2]Cl2·4H2O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H2O)2]2+ cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable trans-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H...Cl hydrogen bonds, giving rise to a three-dimensional network structure.
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- 2021
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4. Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,chromium(iii) ,cyclam ,thiocyanate ligand ,cis-v conformation ,bromide anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.
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- 2021
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5. Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,tetraprotonated macrocycle ,exodentate ,tetrachloride ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of the hydrated title salt, C22H48N44+·4Cl−·4H2O (C22H48N4 = H4L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors, and the O atoms of the water molecules and chloride anions as acceptors, giving rise to a three-dimensional network.
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- 2021
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6. Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) bis[tetrachloridozincate(II)]
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,cyclam ,chloride ,formamide ,trans-isomer ,chromium(iii) complex ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetrachloridozincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl42− anion as acceptors.
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- 2020
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7. Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chlorochromate(vi)] dichloride ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of title compound, (C14H36N4)[CrO3Cl]2Cl2, has been determined by synchrotron radiation X-ray crystallography at 220 K. The macrocyclic cation lies across a crystallographic inversion center and hence the asymmetric unit contains one half of the organic cation, one chlorochromate anion and one chloride anion. Both the Cl− anion and chlorochromate Cl atom are involved in hydrogen bonding. In the crystal, hydrogen bonds involving the 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane (TMC) N—H groups and C—H groups as donor groups and three O atoms of the chlorochromate and the chloride anion as acceptor groups link the components, giving rise to a three-dimensional network.
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- 2020
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8. Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane dinitrate dihydrate from synchrotron X-ray data
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Dohyun Moon, Sunghwan Jeon, Keon Sang Ryoo, and Jong-Ha Choi
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crystal structure ,protonated macrocycle ,nitrate ,hydrate ,hydrogen bonds ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of title salt, C22H46N42+·2NO3−·2H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water molecule. The molecular dication, C22H46N42+, together with the nitrate anion and hydrate water molecule are involved in an extensive range of hydrogen bonds. The molecule is stabilized, as is the conformation of the dication, by forming intermolecular N—H...O, O—H...O, together with intramolecular N—H...N hydrogen bonds.
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- 2019
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9. Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,4,7-triazacyclononane ,tetrachloridozincate ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.
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- 2019
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10. Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-κ4N]silver(II) dinitrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,macrocycle ,synchrotron radiation ,silver(II) complex ,nitrate ion ,trans-III conformation ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-2,13-diyl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Interestingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag—N(tertiary) compared to 2.134 (2) Å for Ag—N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N—H...O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding interactions among the N—H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms.
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- 2018
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11. Crystal structure of 1,4,8,11-tetraazoniacyclotetradecane bis(dichromate) monohydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,4,8,11-tetraazoniacyclotetradecane ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The asymmetric unit of the hydrated title salt, (C10H28N4)[Cr2O7]2·H2O [C10H28N4 = H4(cyclam) = 1,4,8,11-tetraazoniacyclotetradecane], contains two half-cations (both completed by crystallographic inversion symmetry), two dichromate anions and one water molecule. The two [CrO7]2− anions exhibit a nearly staggered conformation, with bridging angles of 133.37 (11) and 136.28 (12)°. The distortions of the dichromate anions are due to their participation in hydrogen-bonding interactions with the water molecule and the cations. Intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the dichromate anions as acceptor groups give rise to a three-dimensional network.
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- 2017
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12. Crystal structure of bis[(oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,cyclam ,chromium(III) complex ,bidentate oxalato ligand ,cis-V conformation ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox) contains one [Cr(ox)(cyclam)]+ cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIII ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72− anion as acceptors, giving rise to a three-dimensional network.
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- 2017
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13. Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data
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Dohyun Moon, Masahiro Takase, Takashiro Akitsu, and Jong-Ha Choi
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crystal structure ,cyclam ,chromium(III) complex ,thiocyanate ligand ,cis-V conformation ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the complex salt, cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+ cation, one half of a Cr2O72− anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIII ion is coordinated by the four cyclam N atoms and by two N atoms of cis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72− anion and water molecules as acceptor groups, giving rise to a three-dimensional network.
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- 2017
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14. Crystal structure of cis-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) (oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) bis(perchlorate) from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,cyclam ,synchrotron radiation ,chromium(III) complex ,chloride ligand ,oxalato ligand ,cis-V conformation ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
In the asymmetric unit of the title compound, [CrCl2(C10H24N4)][Cr(C2O4)(C10H24N4)](ClO4)2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4 = oxalate, ox), there are two independent halves of the [CrCl2(cyclam)]+ and [Cr(ox)(cyclam)]+ cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the CrIII ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam) bond lengths are in the range of 2.075 (5) to 2.096 (4) Å while the Cr—Cl and Cr—O(ox) bond lengths are 2.3358 (14) and 1.956 (4) Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetrahedral ClO4− anion remains outside the coordination sphere. The supramolecular architecture includes N—H...O and N—H...Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO4− anions and one Cl ligand as acceptors, leading to a three-dimensional network structure.
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- 2016
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15. Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
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crystal structure ,propane-1,3-diamine ,chloride ligand ,trans–anti conformation ,chromium(III) complex ,dichromate anion ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2O7]2− anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have an anti chair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2O7]2− anion and chlorido ligands as acceptors.
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- 2016
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16. Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,protonated macrocycle ,tetrachloride ,tetrahydrate ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The crystal structure of the title salt, C20H44N44+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl− anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water molecules and the Cl− anions as acceptors, giving rise to a three-dimensional network.
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- 2018
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17. Crystal structure of ammonium/potassium trans-bis(N-methyliminodiacetato-κ3O,N,O′)chromate(III) from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,synchrotron radiation ,ammonium/potassium salt ,bis(methyliminodiacetato)chromate(III) ion ,mida ,trans-facial configuration ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [(NH4)0.8K0.2][Cr(C5H7NO4)2] (C5H7NO4 is methyliminodiacetate; mida), has been determined from synchrotron data. The CrIII atom is located on a centre of symmetry and is coordinated by two N atoms and four O atoms of two facially arranged tridentate mida ligands, displaying a slightly distorted octahedral coordination environment. The Cr—N and mean Cr—O bond lengths are 2.0792 (14) and 1.958 (14) Å, respectively. The cation site is located on a twofold rotation axis and shows occupational disorder, being occupied by ammonium and potassium cations in a 0.8:0.2 ratio. In the crystal, intermolecular hydrogen bonds involving the N—H groups of the ammonium cation as donor and the two non-coordinating O atoms of the carboxylate group as acceptor groups consolidate the three-dimensional packing.
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- 2016
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18. Crystal structure of tris(trans-1,2-cyclohexanediamine-κ2N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,2-cyclohexanediamine ,tetrachloridozincate chloride double salt ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn is trans-1,2-cyclohexanediamine; C6H14N2), has been determined from synchrotron data. The CrIII ion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl4]2− anion, the isolated Cl− anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl4]2− anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4]2− anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.
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- 2016
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19. Crystal structure of trans-dichlorido(1,4,8,11-tetraazaundecane-κ4N)chromium(III) perchlorate determined from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,1,4,8,11-tetraazaundecane ,chloride ligand ,trans–meso (RS) conformation ,chromium(III) complex ,hydrogen bonding ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title complex, [CrCl2(2,3,2-tet)]ClO4 (2,3,2-tet is 1,4,8,11-tetraazaundecane, C7H20N4), has been determined from synchrotron data. The CrIII ion is coordinated by the four N atoms of the 1,4,8,11-tetraazaundecane ligand in the equatorial plane and two chloride ions in an axial arrangement, displaying a slightly distorted octahedral coordination environment. The two H atoms of the secondary amines are grouped on the same side of the equatorial N4 plane (meso-RS conformation). The Cr—N bond lengths range from 2.069 (2) to 2.084 (2) Å, while the mean Cr—Cl bond length is 2.325 (2) Å. The crystal structure is stabilized by intermolecular hydrogen-bonding interactions between the primary and secondary amine groups of the 2,3,2-tet ligands, the Cl ligands and the O atoms of the perchlorate counter-anion, forming corrugated layers parallel to (010).
- Published
- 2016
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20. Crystal structure of cis-aquachlorido(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) tetrachloridozincate trihydrate from synchrotron data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,synchrotron radiation ,macrocyclic chromium(III) complex ,chlorido ligand ,aqua ligand ,cis-geometry ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, cis-[CrCl(cycb)(H2O)][ZnCl4]·3H2O (cycb is rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane; C16H36N4), has been determined from synchrotron data. In the complex cation, the CrIII ion is bound by four N atoms from the tetradentate cycb ligand, a chloride ion and one water molecule in a cis arrangement, displaying a distorted octahedral coordination geometry. The distorted tetrahedral [ZnCl4]2− anion and three additional water molecules remain outside the coordination sphere. The Cr—N(cycb) bond lengths are in the range of 2.0837 (14) to 2.1399 (12) Å while the Cr—Cl and Cr—(OH2) bond lengths are 2.2940 (8) and 2.0082 (13) Å, respectively. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the macrocyclic ligand, the O—H groups of the water molecules and the Cl atoms of the tetrachloridozincate anion, leading to the formation of a three-dimensional network.
- Published
- 2015
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21. Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.02,7.013,18]tricosane dihydrate from synchrotron X-ray data
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Dohyun Moon and Jong-Ha Choi
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crystal structure ,macropolycycle ,1,3-diazacyclohexane ring ,hydrogen bonds ,synchrotron radiation ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, C21H40N4·2H2O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water molecules. The macropolycycle contains two cyclohexane rings and one 1,3-diazacyclohexane ring, all in chair conformations. The C—N and C—C bond lengths are in the ranges 1.4526 (16)–1.4786 (17) and 1.517 (2)–1.5414 (17) Å, respectively. One intramolecular N—H...N hydrogen bond helps to stabilize the molecular conformation while medium-strength intermolecular N—H...O, O—H...N and O—H...O hydrogen bonds involving the lattice water molecules connect the components into a three-dimensional network.
- Published
- 2017
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22. Crystal structure of trans-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,trans-cyclohexane-1,2-diammonium ,chromate(VI) ,hydrogen bonding ,synchrotron radiation ,hybrid compound ,Crystallography ,QD901-999 - Abstract
The structure of the title hybrid compound, (C6H16N2)[CrO4], has been determined from synchrotron data. The organic cation adopts a chair conformation. The inorganic CrO42− anion is slightly distorted owing to its involvement in N—H...O hydrogen-bonding interactions with neighbouring trans-cyclohexane-1,2-diammonium cations, whereby the two Cr—O bonds to the O atoms acting as acceptor atoms for two hydrogen bonds are slightly longer than the other two Cr—O bonds for which only one acceptor interaction per O atom is observed. In the crystal, cations and anions are packed into layers parallel to (001), held together through the aforementioned N—H...O hydrogen bonds.
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- 2016
- Full Text
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23. Crystal structure of trans-bis(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,ethane-1,2-diamine ,thiocyanate ,trans-geometry ,chromium(III) complex ,hydrogen bonds ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric CrIII complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIII ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS−) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4− anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thiocyanate S atoms as acceptors.
- Published
- 2015
- Full Text
- View/download PDF
24. Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data
- Author
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,cyclam ,thiocyanate ligand ,trans-III configuration ,chromium(III) complex ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the CrIII complex cations and half of a tetrachloridozincate anion. In each complex cation, the CrIII atom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS− anions in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetric trans-III configurations with six- and five-membered chelate rings in chair and gauche configurations, respectively. The [ZnCl4]2− anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS− groups and the Cl− ligands of the anion.
- Published
- 2015
- Full Text
- View/download PDF
25. Crystal structure of cis-aquabis(2,2′-bipyridine-κ2N,N′)chloridochromium(III) tetrachloridozincate determined from synchrotron data
- Author
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Dohyun Moon, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,2,2′-bipyridine ,chloride ligand ,aqua ligand ,cis-geometry ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
The structure of the title salt, [CrCl(C10H8N2)2(H2O)][ZnCl4], has been determined from synchrotron data. The CrIII ion is coordinated by four N atoms from two 2,2′-bipyridine (bipy) ligands, one O atom from a water molecule and a chloride anion in a cis arrangement, displaying a distorted octahedral geometry. The tetrahedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with the coordinating water molecule. The Cr—N(bipy) bond lengths are in the range 2.0485 (13)–2.0632 (12) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2732 (6) and 1.9876 (12) Å, respectively. In the crystal, molecules are stacked along the a axis.
- Published
- 2016
- Full Text
- View/download PDF
26. Crystal structure of cis-aquachloridobis(1,10-phenanthroline-κ2N,N′)chromium(III) tetrachloridozincate monohydrate from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
crystal structure ,synchrotron radiation ,1,10-phenanthroline ,chloride ligand ,aqua ligand ,cis-geometry ,chromium(III) complex ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIII ion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water molecule and a Cl atom in a cis arrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetrahedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with coordinating and non-coordinating water molecules. The two types of water molecules also interact through O—H...O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.
- Published
- 2015
- Full Text
- View/download PDF
27. Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ3O,N,O′)chromate(III) from synchrotron data
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
Crystal structure ,synchrotron radiation ,pyridine-2,6-dicarboxylate ,ammonium cation ,chromate(III) complex ,meridional configuration ,hydrogen bonding ,Crystallography ,QD901-999 - Abstract
The structure of the title compound, (NH4)[Cr(pydc)2] (pydc is pyridine-2,6-dicarboxylate, C7H3NO4), has been determined from synchrotron data. The CrIII ion and the N atom of the ammonium cation are located on a crystallographic fourfold rotoinversion axis (-4). The CrIII cation is coordinated by four O atoms and the two N atoms of two meridional pydc ligands, displaying a distorted octahedral geometry. The Cr—N and Cr—O bond lengths are 1.9727 (15) and 1.9889 (9) Å, respectively. The crystal structure is stabilized by intermolecular hydrogen bonds involving the N–H groups of the ammonium cation and pyridine C–H groups as donors and the non-coordinating carbonyl O atoms as acceptors.
- Published
- 2015
- Full Text
- View/download PDF
28. Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane bis(perchlorate) from synchrotron X-ray data
- Author
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Sunghwan Jeon, Dohyun Moon, and Jong-Ha Choi
- Subjects
crystal structure ,Crystallography ,synchrotron radiation ,Hydrogen bond ,Chlorate ,Protonation ,General Chemistry ,Crystal structure ,perchlorate ,hydrogen bonding ,Condensed Matter Physics ,Dication ,chemistry.chemical_compound ,Perchlorate ,chemistry ,QD901-999 ,General Materials Science ,Diazo ,Hydrate ,protonated macrocycle - Abstract
The crystal structure of the title salt, C20H42N4 2+·2ClO4 −, has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H...N, and intermolecular N—H...O and C–H...O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network.
- Published
- 2021
29. Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Coordination sphere ,Crystallography ,Chemistry ,Hydrogen bond ,Ligand ,synchrotron radiation ,Thio ,chromium(iii) ,cis-v conformation ,General Chemistry ,Crystal structure ,cyclam ,Condensed Matter Physics ,thiocyanate ligand ,hydrogen bonding ,Chromium(III) bromide ,chemistry.chemical_compound ,Bromide ,QD901-999 ,Cyclam ,General Materials Science ,bromide anion - Abstract
The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.
- Published
- 2021
30. Synthesis, crystal structure, infrared spectroscopy and Hirshfeld surface analysis of cis-(thiocyanato-κN)(1,4,8,11-tetraazacyclotetradecane-κN4)chromium(III)(µ-1,3-thiocyanato-κN,S)trichloridozincate
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
Chemistry ,Synchrotron radiation ,Infrared spectroscopy ,chemistry.chemical_element ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,0104 chemical sciences ,Ion ,chemistry.chemical_compound ,Crystallography ,Chromium ,Cyclam ,Materials Chemistry ,Physical and Theoretical Chemistry - Abstract
The crystal structure of cis-[Cr(NCS)(cyclam)(µ-NCS)ZnCl3] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4) was determined using synchrotron radiation at 100 K. The chromium(III) ion is coord...
- Published
- 2020
31. Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chloridochromate(VI)] dichloride from synchrotron X-ray data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Crystallography ,1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chlorochromate(VI)] dichloride ,synchrotron radiation ,General Chemistry ,hydrogen bonding ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,Condensed Matter Physics ,01 natural sciences ,Research Communications ,0104 chemical sciences ,QD901-999 ,General Materials Science ,1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis[chlorochromate(vi)] dichloride - Abstract
The asymmetric unit of the title compound, (C14H36N4)[CrO3Cl]2Cl2, contains one half-cation (completed by crystallographic inversion symmetry), one chlorochromate anion and one chloride anion. In the crystal, N—H⋯Cl, C—H⋯Cl and C—H⋯O hydrogen bonds connect the organic cations, chlorochromate and chloride anions, forming a three-dimensional network., The crystal structure of title compound, (C14H36N4)[CrO3Cl]2Cl2, has been determined by synchrotron radiation X-ray crystallography at 220 K. The macrocyclic cation lies across a crystallographic inversion center and hence the asymmetric unit contains one half of the organic cation, one chlorochromate anion and one chloride anion. Both the Cl− anion and chlorochromate Cl atom are involved in hydrogen bonding. In the crystal, hydrogen bonds involving the 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane (TMC) N—H groups and C—H groups as donor groups and three O atoms of the chlorochromate and the chloride anion as acceptor groups link the components, giving rise to a three-dimensional network.
- Published
- 2020
32. Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,bis(perchlorate) dichloride ,1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane ,Protonation ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Chloride ,Research Communications ,Perchlorate ,chemistry.chemical_compound ,1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane ,medicine ,General Materials Science ,Crystallography ,biology ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,hydrogen bonding ,Acceptor ,0104 chemical sciences ,chemistry ,QD901-999 ,bis(perchlorate) dichloride ,Tetra ,Amine gas treating ,medicine.drug - Abstract
In the title salt, [C14H36N4]4+·2ClO4 −·2Cl−, the macrocyclic cations lie about an inversion center. In the crystal, N–H⋯Cl, C–H⋯Cl and C–H⋯O hydrogen bonds connect the cations and anions, forming a three-dimensional network., The crystal structure of title salt, C14H36N4 4+·2ClO4 −·2Cl−, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), one perchlorate anion and one chloride anion. A distortion of the perchlorate anion is due to its involvement in hydrogen-bonding interactions with the cations. The crystal structure is consolidated by intermolecular hydrogen bonds involving the 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane N—H and C—H groups as donor groups, and the O atoms of the perchlorate and chloride anion as acceptor groups, giving rise to a three-dimensional network.
- Published
- 2020
33. Crystal structure of di-aqua-(3,14-diethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.0
- Author
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Dohyun, Moon, Sunghwan, Jeon, Woo Taik, Lim, Keon Sang, Ryoo, and Jong-Ha, Choi
- Subjects
crystal structure ,synchrotron radiation ,macrocycle ,hydrogen bonding ,double copper(II) complex ,Research Communications ,bromide - Abstract
In the title complex, [Cu(C22H44N4)(H2O)2][Cu(C22H44N4)]Br4·2H2O, each of the two complex cations lies about an inversion center. The two macrocyclic rings adopt the most stable trans-III configuration. In the crystal, O—H⋯Br, N—H⋯Br, N—H⋯O and C—H⋯O hydrogen bonds connect the complex cations, bromide anions, semi-coordinating H2O ligands and water solvent molecules, forming a one-dimensional network extending parallel [100]., The crystal structure of the new double CuII complex salt, [Cu(L)(H2O)2][Cu(L)]Br4·2H2O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H2O)2]2+ cation, one half of a [Cu(L)]2+ cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent molecule. The CuII atom in the first complex exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the CuII atom in the second complex exists in a square-planar environment defined by the four nitrogen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water molecules as donor groups, and the O atoms of water molecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100].
- Published
- 2021
34. Crystal structure of 3,14-dimethyl-2,13-di-aza-6,17-diazo-niatri-cyclo-[16.4.0.0
- Author
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Dohyun, Moon, Sunghwan, Jeon, and Jong-Ha, Choi
- Subjects
crystal structure ,synchrotron radiation ,perchlorate ,hydrogen bonding ,protonated macrocycle ,Research Communications - Abstract
In the title salt, C20H42N4 2+·2ClO4 −, the macrocyclic dication lies about an inversion center. In the crystal, the organic dication and perchlorate anions are linked through N—H⋯O, C—H⋯O and N—H⋯N hydrogen bonds, forming a three-dimensional network., The crystal structure of the title salt, C20H42N4 2+·2ClO4 −, has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H⋯N, and intermolecular N—H⋯O and C–H⋯O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network.
- Published
- 2021
35. Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3 N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data
- Author
-
Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Coordination sphere ,Crystal structure ,1,4,7-triazacyclononane ,010402 general chemistry ,01 natural sciences ,Research Communications ,chromium(III) complex ,chemistry.chemical_compound ,General Materials Science ,tetrachloridozincate ,1,4,7-triazacyclononane ,Crystallography ,tetrachloridozincate ,biology ,synchrotron radiation ,010405 organic chemistry ,Chemistry ,Hydrogen bond ,General Chemistry ,hydrogen bonding ,Condensed Matter Physics ,biology.organism_classification ,0104 chemical sciences ,Bond length ,Molecular geometry ,QD901-999 ,Tetra ,Nonane ,Zincate - Abstract
Each CrIII cation in the title compound is coordinated by the six N atoms from two 1,4,7-triazacyclononane (tacn) ligands, displaying a distorted octahedral environment. The crystal packing is stabilized by extensive hydrogen-bonding interactions involving the N—H groups of the tacn ligands, O—H groups or O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions., The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.
- Published
- 2019
36. Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-κ4N]silver(II) dinitrate from synchrotron X-ray data
- Author
-
Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,nitrate ion ,Crystal structure ,010402 general chemistry ,01 natural sciences ,Ion ,Crystal ,chemistry.chemical_compound ,General Materials Science ,Crystallography ,biology ,010405 organic chemistry ,Chemistry ,Ligand ,Hydrogen bond ,synchrotron radiation ,silver(II) complex ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,hydrogen bonding ,Acceptor ,0104 chemical sciences ,trans-III conformation ,QD901-999 ,Tetra ,macrocycle ,Acetamide - Abstract
The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-2,13-diyl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Interestingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag—N(tertiary) compared to 2.134 (2) Å for Ag—N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N—H...O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding interactions among the N—H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms.
- Published
- 2018
37. Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data
- Author
-
Takashiro Akitsu, Dohyun Moon, Masahiro Takase, and Jong-Ha Choi
- Subjects
crystal structure ,Coordination sphere ,Stereochemistry ,Thio ,Crystal structure ,cyclam ,Staggered conformation ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,chromium(III) complex ,chemistry.chemical_compound ,Cyclam ,Moiety ,General Materials Science ,dichromate anion ,Crystallography ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,thiocyanate ligand ,hydrogen bonding ,0104 chemical sciences ,Bond length ,chemistry ,cis-V conformation ,QD901-999 - Abstract
The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.
- Published
- 2017
38. Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data
- Author
-
Keon Sang Ryoo, Dohyun Moon, and Jong-Ha Choi
- Subjects
crystal structure ,Coordination sphere ,Stereochemistry ,chemistry.chemical_element ,Crystal structure ,Staggered conformation ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Ion ,Research Communications ,chromium(III) complex ,lcsh:Chemistry ,Chromium ,General Materials Science ,dichromate anion ,chloride ligand ,Chemistry ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,hydrogen bonding ,propane-1,3-diamine ,0104 chemical sciences ,propane-1,3-diamine ,Bond length ,Crystallography ,lcsh:QD1-999 ,trans–anti conformation ,Amine gas treating - Abstract
In the title organic–inorganic salt, [CrCl2(tn)2]2[Cr2O7] (tn is propane-1,3-diamine), the CrIII ions are coordinated by four N atoms from two tn ligands and two chloride ions in a trans geometry, displaying a distorted octahedral arrangement. The crystal packing is stabilized by N—H⋯Cl and N—H⋯O hydrogen bonds., The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIII complex cation and half a [Cr2O7]2− anion. In the complex cation, the CrIII ion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in a trans configuration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have an anti chair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2 groups of the tn ligands as donors and the O atoms of the [Cr2O7]2− anion and chlorido ligands as acceptors.
- Published
- 2016
39. Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data
- Author
-
Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Protonation ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Chloride ,Research Communications ,lcsh:Chemistry ,chemistry.chemical_compound ,medicine ,tetraprotonated macrocycle ,General Materials Science ,tetrahydrate ,protonated macrocycle ,exodentate ,tetrachloride ,Crystallography ,Tetrahydrate ,biology ,Hydrogen bond ,Chemistry ,synchrotron radiation ,tetraprotonated macrocycle ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,hydrogen bonding ,0104 chemical sciences ,lcsh:QD1-999 ,QD901-999 ,tetrahydrate ,Tetra ,Amine gas treating ,tetrachloride ,Hydrate ,medicine.drug - Abstract
In the hydrated title salt, [C22H48N4]Cl4·4H2O, the cation lies about an inversion centre. The macrocyclic ring adopts an exodentate (3,4,3,4)-D conformation. In the crystal, O—H⋯Cl, N—H⋯Cl and N—H⋯O hydrogen bonds connect the chloride anions, tetraprotonated cations and water molecules into a three-dimensional network., The crystal structure of the hydrated title salt, C22H48N4 4+·4Cl−·4H2O (C22H48N4 = H4 L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors, and the O atoms of the water molecules and chloride anions as acceptors, giving rise to a three-dimensional network.
- Published
- 2018
40. Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) tetrabromide dihydrate, [Cu(C22H44N4)(H2O)2][Cu(C22H44N4)]Br4·2H2O.
- Author
-
Dohyun Moon, Sunghwan Jeon, Woo Taik Lim, Keon Sang Ryoo, and Jong-Ha Choi
- Subjects
CRYSTAL structure ,MACROCYCLIC compounds ,SYNCHROTRON radiation ,CHEMICAL bond lengths ,COPPER ,HYDROGEN bonding ,ATOMS ,SCHIFF bases - Abstract
The crystal structure of the new double Cu
II complex salt, [Cu(L)(H2 O)2 ][Cu(L)]Br4 ·2H2 O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12 ]docosane, C22 H44 N4 ) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H2 O)2 ]2+ cation, one half of a [Cu(L)]2+ cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent molecule. The CuII atom in the first complex exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the CuII atom in the second complex exists in a square-planar environment defined by the four nitrogen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water molecules as donor groups, and the O atoms of water molecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100]. [ABSTRACT FROM AUTHOR]- Published
- 2021
- Full Text
- View/download PDF
41. Crystal structure of ammonium/potassium trans-bis(N-methyliminodiacetato-κ3 O,N,O′)chromate(III) from synchrotron data
- Author
-
Dohyun Moon and Jong-Ha Choi
- Subjects
bis(methyliminodiacetato)chromate(III) ion ,crystal structure ,Stereochemistry ,Potassium ,chemistry.chemical_element ,Crystal structure ,bis(methyliminodiacetato)chromate(III) ion ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Research Communications ,trans-facial configuration ,Crystal ,lcsh:Chemistry ,chemistry.chemical_compound ,General Materials Science ,Ammonium ,ammonium/potassium salt ,Chromate conversion coating ,Hydrogen bond ,synchrotron radiation ,mida ,General Chemistry ,Condensed Matter Physics ,hydrogen bonding ,Acceptor ,0104 chemical sciences ,Bond length ,Crystallography ,chemistry ,lcsh:QD1-999 - Abstract
In the title complex, the CrIII ion is coordinated to two methyliminodiacetate (mida) dianions acting as tridentate ligands through the N atom and two O atoms of each carboxylate group, in a distorted octahedral geometry. The partial ammonium cation is linked to two O atoms of carboxylate group from neighboring mida groups through N—H⋯O hydrogen-bonding interactions., The structure of the title compound, [(NH4)0.8K0.2][Cr(C5H7NO4)2] (C5H7NO4 is methyliminodiacetate; mida), has been determined from synchrotron data. The CrIII atom is located on a centre of symmetry and is coordinated by two N atoms and four O atoms of two facially arranged tridentate mida ligands, displaying a slightly distorted octahedral coordination environment. The Cr—N and mean Cr—O bond lengths are 2.0792 (14) and 1.958 (14) Å, respectively. The cation site is located on a twofold rotation axis and shows occupational disorder, being occupied by ammonium and potassium cations in a 0.8:0.2 ratio. In the crystal, intermolecular hydrogen bonds involving the N—H groups of the ammonium cation as donor and the two non-coordinating O atoms of the carboxylate group as acceptor groups consolidate the three-dimensional packing.
- Published
- 2016
42. Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.02,7.013,18]tricosane dihydrate from synchrotron X-ray data
- Author
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Jong-Ha Choi and Dohyun Moon
- Subjects
1,3-diazacyclohexane ring ,crystal structure ,Synchrotron radiation ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Research Communications ,law.invention ,law ,General Materials Science ,Crystallography ,biology ,synchrotron radiation ,Chemistry ,Hydrogen bond ,General Chemistry ,Condensed Matter Physics ,biology.organism_classification ,Synchrotron ,0104 chemical sciences ,Bond length ,QD901-999 ,macropolycycle ,hydrogen bonds ,X ray data ,Tetra ,1,3-diazacyclohexane ring - Abstract
The macrocyclic title compound crystallizes as a dihydrate with a 12-membered inner ring system. Hydrogen bonds involving the lattice water molecules link the components into a three-dimensional network system., The structure of the title compound, C21H40N4·2H2O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water molecules. The macropolycycle contains two cyclohexane rings and one 1,3-diazacyclohexane ring, all in chair conformations. The C—N and C—C bond lengths are in the ranges 1.4526 (16)–1.4786 (17) and 1.517 (2)–1.5414 (17) Å, respectively. One intramolecular N—H⋯N hydrogen bond helps to stabilize the molecular conformation while medium-strength intermolecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving the lattice water molecules connect the components into a three-dimensional network.
- Published
- 2017
43. Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane)copper(II) dichloride tetrahydrate.
- Author
-
Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *MACROCYCLIC compounds , *SYNCHROTRON radiation , *CHEMICAL bond lengths , *COPPER , *ATOMS - Abstract
The crystal structure of the novel hydrated CuII salt, [Cu(L)(H2O)2]Cl2·4H2O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane, C22H44N4) has been determined using synchrotron radiation. The asymmetric unit contains one half of the [Cu(L)(H2O)2]2+ cation (completed by crystallographic inversion symmetry), one chloride anion and two lattice water molecules. The copper(II) atom exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two O atoms from water molecules in axial positions. The latter exhibit a long axial Cu—O bond length of 2.7866 (16) Å due to the Jahn–Teller distortion. The macrocyclic ring adopts a stable trans-III conformation with typical Cu—N bond lengths of 2.0240 (11) and 2.0441 (3) Å. The complex is stabilized by hydrogen bonds formed between the O atoms of coordinated water molecules and the NH groups as donors, and chloride anions as acceptors. The chloride anions are further connected to the lattice water solvent molecules through O—H⋯Cl hydrogen bonds, giving rise to a three-dimensional network structure. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
44. Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.07,12]docosane bis(perchlorate) from synchrotron X-ray data.
- Author
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Dohyun Moon, Sunghwan Jeon, and Jong-Ha Choi
- Subjects
CRYSTAL structure ,SYNCHROTRON radiation ,X-rays ,HYDROGEN bonding ,SYNCHROTRONS ,PROTON transfer reactions ,ELECTRON donors - Abstract
The crystal structure of the title salt, C
20 H42 N4 2+ ·2ClO4 − , has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H...N, and intermolecular N—H...O and C–H...O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network. [ABSTRACT FROM AUTHOR]- Published
- 2021
- Full Text
- View/download PDF
45. Crystal structure of cis-(1,4,8,11-tetraazacyclo-tetradecane-κ4N)bis(thiocyanato- κN)chromium(III) bromide from synchrotron X-ray diffraction data.
- Author
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Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *X-ray diffraction , *CHROMIUM , *BROMIDES , *CHEMICAL bond lengths , *SYNCHROTRONS , *MACROCYCLIC compounds - Abstract
The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr--N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr--N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N--H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
46. Crystal structure oftrans-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data
- Author
-
Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Cyclohexane conformation ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Research Communications ,Ion ,Crystal ,chemistry.chemical_compound ,Atom ,trans-cyclohexane-1,2-diammonium ,General Materials Science ,trans-cyclohexane-1,2-diammonium ,hybrid compound ,chromate(VI) ,Crystallography ,synchrotron radiation ,Hydrogen bond ,General Chemistry ,hydrogen bonding ,Condensed Matter Physics ,Acceptor ,0104 chemical sciences ,chemistry ,QD901-999 ,Ammonium chromate - Abstract
In the title compound, (C6H16N2)[CrO4], the trans-cyclohexane-1,2-diammonium cations and chromate anions are connected through N—H⋯O hydrogen bonds. The tetrahedral CrO4 2− anion is slightly distorted due to the influence of the hydrogen bonds., The structure of the title hybrid compound, (C6H16N2)[CrO4], has been determined from synchrotron data. The organic cation adopts a chair conformation. The inorganic CrO4 2− anion is slightly distorted owing to its involvement in N—H⋯O hydrogen-bonding interactions with neighbouring trans-cyclohexane-1,2-diammonium cations, whereby the two Cr—O bonds to the O atoms acting as acceptor atoms for two hydrogen bonds are slightly longer than the other two Cr—O bonds for which only one acceptor interaction per O atom is observed. In the crystal, cations and anions are packed into layers parallel to (001), held together through the aforementioned N—H⋯O hydrogen bonds.
- Published
- 2016
47. Crystal structure of [2,13-bis-(acetamido)-5,16-dimethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.0
- Author
-
Dohyun, Moon and Jong-Ha, Choi
- Subjects
crystal structure ,trans-III conformation ,synchrotron radiation ,silver(II) complex ,nitrate ion ,macrocycle ,hydrogen bonding ,Research Communications - Abstract
The title compound, [Ag(C24H46N6O2)](NO3)2, has a square-planar geometry with the nitrate anions on general sites. The macrocycle adopts the trans-III conformation. The crystal packing is stabilized by hydrogen-bonding interactions among the N–H groups of the macrocycle and its actetamide substituents, with the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms., The asymmetric unit of the title compound, [Ag(C24H46N6O2)](NO3)2 [C24H46N6O2 is (5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-2,13-diyl)diacetamide, L], consists of one independent half of the [Ag(C24H46N6O2)]2+ cation and one nitrate anion. The Ag atom, lying on an inversion centre, has a square-planar geometry and the complex adopts a stable trans-III conformation. Interestingly, the two O atoms of the pendant acetamide groups are not coordinated to the AgII ion. The longer distance of 2.227 (2) Å for Ag—N(tertiary) compared to 2.134 (2) Å for Ag—N(secondary) may be due to the effects of the attached acetamide group on the tertiary N atom. Two nitrate anions are very weakly bound to the AgII ion in the axial sites and are further connected to the ligand of the cation by N—H⋯O hydrogen bonds. The crystal packing is stabilized by hydrogen-bonding interactions among the N—H donor groups of the macrocycle and its actetamide substituents, and the O atoms of the nitrate anions and of an acetamide group as the acceptor atoms.
- Published
- 2018
48. Crystal structure of trans-bis(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III) perchlorate from synchrotron data
- Author
-
Jong-Ha Choi and Dohyun Moon
- Subjects
crystal structure ,Thio ,ethane-1,2-diamine ,Crystal structure ,trans-geometry ,Ion ,Research Communications ,chromium(III) complex ,Perchlorate ,chemistry.chemical_compound ,Diamine ,General Materials Science ,ethane-1,2-diamine ,thiocyanate ,thiocyanate ,Crystallography ,Thiocyanate ,Hydrogen bond ,synchrotron radiation ,General Chemistry ,Condensed Matter Physics ,Bond length ,chemistry ,QD901-999 ,hydrogen bonds - Abstract
The centrosymmetric CrIII ion in the title compound shows a distorted octahedral coordination with four N atoms of two ethane-1,2-diamine ligands in the equatorial plane and two N-coordinated NCS− groups in trans-axial positions. The ethane-1,2-diamine ligand in the complex cation and the ClO4 − anion are both disordered., The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric CrIII complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIII ion is coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound thiocyanate (NCS−) anions in a trans-axial arrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) bond lengths are in the range 2.053 (16)–2.09 (2) Å, while the Cr—N(thiocyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4 − anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thiocyanate S atoms as acceptors.
- Published
- 2015
49. Crystal structure of 3,14-diethyl-2,6,13,17-tetra-azoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data.
- Author
-
Dohyun Moon and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *SYNCHROTRON radiation , *X-rays , *HYDROGEN bonding , *SYNCHROTRONS , *PROTON transfer reactions , *ELECTRON donors - Abstract
The crystal structure of the hydrated title salt, C22H48N44+4Cl-4H2O(C22H48N4 =H4L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N-H groups and water O-H groups as donors, and the O atoms of the water molecules and chloride anions as acceptors, giving rise to a three-dimensional network. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
50. Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane- κ4N)chromium(III) bis(formamide- κO)(1,4,8,11-tetraazacyclotetradecaneκ 4N)chromium(III) bis[tetrachloridozincate(II)].
- Author
-
Moon, Dohyun and Jong-Ha Choi
- Subjects
- *
CRYSTAL structure , *FORMAMIDE , *CHROMIUM , *CHEMICAL bond lengths , *INVERSIONS (Geometry) , *HYDROGEN bonding , *SYNCHROTRON radiation , *CATIONS - Abstract
The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2- (C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetrachloridozincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr-- N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) A ° , while the Cr--Cl and Cr--O(fa) bond distances are 2.3194 (7) and 1.9953 (19) A ° , respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2- anion as acceptors. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
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