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Microula pentagona W. T. Yu, S. T. Chen & Z. K. Zhou sp. nov. and M. galactantha W. T. Yu, S. T. Chen & Z. K. Zhou sp. nov. (Boraginaceae) from the eastern Qinghai-Tibetan Plateau are described and illustrated. Microula pentagona is characterized by the pentagonal dark purple pubescent corolla throat, whereas M. galactantha is distinct by its white flowers and a nutlet attachment near the apex. The diagnostic features of the two new species are compared with other species of the genus. [ABSTRACT FROM AUTHOR]

Abstract  Both the title multi-sulfur molecules C5H2S5 (1) and C5H2OS4 (2) have a chair conformation, while molecule 1 has a higher degree of π-conjugation. Both the crystals are characterized by short S···S intermolecular contacts and by face-to-face column-like packing style, but crystal 1 has been more stabilized which may be the result of its stronger π–π intermolecular interactions. Compound 1 crystallizes in non-centrosymmetric polar space group Pmn21 with a = 10.6826(17), b = 9.3633(11), c = 4.0764(6) Å, V = 407.74(10) Å3, and Z = 2. The molecular dipole moment of 1 is ±62.5(1)° away from the macro-polarization direction along the c-axis. Consequently, the crystalline powder of crystal 1 exhibit a second harmonic generating (SHG) intensity 0.5 time strong as that of urea standard powder crystals when irradiated by a 1,080 nm of Nd:YAP laser beam. Compound 2 shows no SHG effect because it crystallizes in centrosymmtric space group Pbca with a = 11.4208(8), b = 7.8843(9), c = 33.587(3) Å, V = 3024.3(5) Å3, and Z = 16. Index Abstract  Structures and Non-linear Optical Properties of Multi-Sulfur π-Conjugated Compounds 4,5-Vinylenedithio-1,3-dithiole-2-thione (C5H2S5) and 4,5-Vinylenedithio-1,3-dithiole-2-one (C5H2OS4) Gang Xue, Qi Fang,* Wen-Tao Yu, Xia Chen, and Hong Lei Compound C5H2S5 crystallizes in the polar space group Pmn21 and its crystalline powder exhibits a second harmonic generating (SHG) intensity 0.5 times that of urea standard (1080 nm → 540 nm), while the similar compound C5H2OS4 has no SHG effect because of its centrosymmetric space group Pbca. [ABSTRACT FROM AUTHOR]

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The mol­ecule of the title compound, C36H28N2, adopts a propeller-like shape and possesses crystallographically imposed twofold rotation symmetry. The N atom has an almost ideal trigonal geometry, indicating that the lone electron pair is involved in conjugation with the system of aromatic rings. [ABSTRACT FROM AUTHOR]

The title polymeric compound, {[MnHg(SCN)4(H2O)]-C4H8O2S}n, consists of slightly distorted MnN4O2 octahedra and HgS4 tetrahedra. Each MnII ion is bound to N atoms belonging to the thiocyanate (SCN) groups and to two O atoms of adjacent water ligands. The sulfolane molecule connects with the coordinated water molecule through hydrogen bonding. Each HgII atom is coordinated by four SCN S atoms. The two adjacent MnII atoms and two O atoms of bridging water molecules connect with one another and form a parallelogram. Each pair of MnII and HgII atoms is connected by an -SCN- bridge, forming an infinite three-dimensional structure. [ABSTRACT FROM AUTHOR]

The title complex, {[CdHg(SCN)4(H2O)]·C4H8O2S}n, comprises slightly distorted CdN4O2 octahedra and HgS4 tetrahedra where the donor atoms are derived from ambidentate thiocyanate ligands and, in the case of cadmium, also from water molecules. Pairs of Cd atoms are bridged by two water molecules, forming a parallelogram, and each water molecule is hydrogen bonded to a sulfolane molecule. Pairs of Cd and Hg atoms are connected by —SCN— bridges, which leads to the formation of a three-dimensional —Cd—NCS—Hg—network. [ABSTRACT FROM AUTHOR]

The title complex, poly­[bis( N-methyl­form­amide)­tetra-μ-thio­cyanatocadmium(II)­mercury(II)], [CdHg(NCS)4(C2H5NO)2] n, contains slightly distorted octahedral CdN4O2 and tetrahedral HgS4. The CdII atom is coordinated by the N atoms of four SCN groups and O atoms of two N-methyl­form­amide ligands in a cis orientation. The HgII atom is coordinated by S atoms of one independent and three symmetry-related SCN groups. The two metal atoms, viz. CdII and HgII, are connected by an —S=C=N— bridge, forming an infinite three-dimensional network. [ABSTRACT FROM AUTHOR]

Evaluates the molecular structure of Poly[bis(ni-methylformamide)-tetra-µ-thiocyanato-manganese(II)-mercury(II)]. Chemical compound of the title complex [MnHg(NCS)4(C2H5NO)2]n; Chemical structure of NMF solutions; Molecular structure of the metallic-organic compounds.

In the title compound, C7H11O3PS4, the five-membered ring is in an envelope conformation. The average values of the S—C sp3 and S—C sp2 bond lengths are 1.813 (6) and 1.755 (8) Å, respectively. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title complex, (C8H20N)2[Cu(C3S5)2], each Cu atom is tetracoordinated by four dmit S atoms (dmit is 2-thio­xo-1,3-di­thiole-4,5-di­thiol­ate), forming a slightly distorted square-planar arrangement. The average Cu—S bond length is a little larger than the sum of the single-bond covalent radii. The S—Cu—S bond angles for the vicinal S atoms are somewhat larger than the typical right angle and the other two angles are much smaller than 180°. The [Cu(dmit)2]2− anions and tetraethyl­ammonium counter-cations form a layered arrangement in the crystal structure. [ABSTRACT FROM AUTHOR]

The title compound, C13H18O2S5, possesses twofold symmetry and is composed of two pivalyl groups lying on opposite sides of the planar 1,3-di­thiole-2-thione conjugated moiety. Owing to the introduction of the C=O electron-acceptor group the adjacent C—S bond length [1.774 (4) Å] is shorter than that of a typical C—S single bond. In the crystal structure, there are no significant intermolecular hydrogen bonds. [ABSTRACT FROM AUTHOR]

The title complex, (C8H20N)2[Cd(C3S5)2], has the Cd atom in a distorted tetrahedral geometry, due to the relatively small bite angles, 88.61 (4)–88.78 (4)°, of the 2-thio­xo-1,3-di­thiole-4,5-di­thiol­ate ligands. [ABSTRACT FROM AUTHOR]

The title complex, [ZnCl(C4H8N2S)3]Cl, comprises [ZnCl(ATU)3]+ cations (ATU is allyl­thio­urea) and Cl− anions, both of which lie on threefold axes. The three S atoms of the allyl­thio­urea mol­ecules and one Cl atom coordinate the Zn atom in a tetrahedral arrangement. The crystal packing is mainly determined by weak N—H⋯Cl hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title compound, (C7H10N)[Ca(C3H7NO)6][PMo12O40], two types of cations [viz. 1,4-dimethylpyridinium and a [Ca(DMF)6]2+ complex cation (DMF is dimethylformamide)] and dodecamolybdophosphate (tetracontaoxophosphidododecamolybdate) anions form an infinite three-dimensional assembly via electrostatic forces. [ABSTRACT FROM AUTHOR]

Focuses on the study conducted by Chinese scientists on determining the structure of rubidium gadolinium bis(tungstate). Composition of the crystal with corner- and edge-sharing WO₆ octahedral and GdO₈ polyhedral groups; Significance of the WO₆ octahedral and GdO₈ polyhedral groups in giving rise to a Gd-WO₄ polyhedral backbone surrounding structural cavities filled with rubidium cations; Significance of the structure of the Gd and Rb atoms in the twofold axes.

Two series of multibranched compounds with vinylenes attaching to the s-triazine core have been synthesized. The two-photon absorption cross section (σ) increases significantly as the branch number increases, with the ratios of σ between one-, two-, and three-branched compounds being 1.0:3.3:7.0 for series A and 1.0:3.7:7.0 for series B respectively, indicating remarkable cooperative enhancement. [ABSTRACT FROM AUTHOR]

The central 1,3-dithiol­ane-2-thione fragment of the title compound, C15H10O4S7, is planar; the conformations of the phenyl­sulfonyl­thio substituents in positions 4 and 5 of the dithiol­ane ring are related by an approximate twofold axis coinciding with the C=S bond of the 1,3-dithiol­ane-2-thione group. The planes of the phen­yl rings form dihedral angles of 25.4 (4) and 31.1 (4)° with the least-squares plane of the central dithiol­ane ring. [ABSTRACT FROM AUTHOR]

In the two title complexes, (C24H20P)[Au(C3S5)2]·C3H6O, (I), and (C20H20P)[Au(C3S5)2], (II), the AuIII atoms exhibit square-planar coordinations involving four S atoms from two 2-thioxo-1,3-dithiole-4,5-dithiolate (dmit) ligands. The Au—S bond lengths, ranging from 2.3057 (8) to 2.3233 (7) Å in (I) and from 2.3119 (8) to 2.3291 (10) Å in (II), are slightly smaller than the sum of the single-bond covalent radii. In (I), there are two halves of independent Ph4P+ cations, in which the two P atoms lie on twofold rotation axis sites. The Ph4P+ cations and [Au(C3S5)2]− anions are interspersed as columns in the packing. Layers composed of Ph4P+ and [Au(C3S5)2]− are separated by layers of acetone molecules. In (II), the [Au(C3S5)2]− anions and EtPh3P+ counter-cations form a layered arrangement, and the [Au(C3S5)2]− anions form discrete pairs with a long intermolecular Au...S interaction for each Au atom in the crystal structure. [ABSTRACT FROM AUTHOR]

The title complex, C6H15N4O2+·C4H3O4−·2H2O, contains a planar ring formed by sharing one H atom between the O atoms in the carboxyl groups of the maleate anion. This hydrogen bond is slightly asymmetric. In thel-argininium(+) cation, both the α-amino and the guanidyl groups are protonated. The nonlinear optical response of the compound is derived from the intrinsic hyperpolarizabilities of thel-argininium cations, maleate anions and intermolecular hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title complex, [Cd(SCN)2(C4H8O2S)2] n, the CdII atom, on an inversion centre, is within a distorted N2S2O2 octahedron and the five-membered ring has a distorted envelope conformation. In the crystal structure, neighbouring Cd atoms are connected by –SCN– bridges, leading to the formation of an infinite three-dimensional –Cd–NCS–Cd– network. [ABSTRACT FROM AUTHOR]

The title complexes, [ M(C5O5)(C12H8N2)2], with M = CoII, NiII and CuII, all lie across twofold rotation axes, around which two 1,10-phenanthroline ligands are arranged in a chiral propeller manner. The CoII and NiII complexes are isostructural, with octa­hedral coordination geometry, while the local geometry of the CuII complex is severely distorted from octa­hedral. [ABSTRACT FROM AUTHOR]

In the title compound, C27H30S, the dihedral angle between the fluorene and benzene ring systems is 37.6 (5)°. [ABSTRACT FROM AUTHOR]

In the title complex, (C22H24P)[Ni(C3S5)2] or (BuPh3P)[Ni(dmit)2] (where BuPh3P is the butyl­triphenyl­phospho­nium cation and dmit is the 2-thioxo-1,3-dithiole-4,5-dithiol­ate anion), each Ni atom is tetra­coordinated by four dmit S atoms, forming a nearly square-planar arrangement. The average Ni—S bond length is 2.16Å, much smaller than 2.21Å for the Ni2+ ion in [Ni(dmit)2]2−. The other bond distances are also shorter, close to the corresponding double-bond value. The [Ni(dmit)2]− anions and butyl­triphenyl­phospho­nium counter-cations form a layered arrangement in the crystal structure. [ABSTRACT FROM AUTHOR]

The crystal structure of a new bimetallic seleno­cyanate, zinc cadmium seleno­cyanate or poly[tetra-μ2-seleno­cyanato-cadmium(II)zinc(II)], [ZnCd(SeCN)4] n, is an infinite three-dimensional network in which the slightly distorted CdSe4 and ZnN4 tetra­hedra are connected by –SeCN– bridges. The whole structure can be viewed as a diamondoid network with Cd and Zn nodes and –SeCN– spacers. [ABSTRACT FROM AUTHOR]

In the title compound, (C7H10N)2[Zn(C3S5)2], the ZnII ion is located on a twofold axis and coordinated by four 2-thioxo-1,3-dithiole-4,5-dithiol­ate S atoms with a distorted tetra­hedral geometry. The asymmetric unit contains two independent N-ethyl­pyridinium cations, each having mirror symmetry. [ABSTRACT FROM AUTHOR]

In the title compound, {[K2Ni(C5O5)2(H2O)2]·4H2O} n, the Ni atom lies on an inversion centre. Two inversion-related croconate [4,5-dihydroxy-4-cyclo­pentene-1,2,3-trionate(2−)] ligands and an NiII ion form a near-planar symmetrical [Ni(C5O5)2]2− moiety. The near-square coordination centre of the moiety is then extended to an octa­hedral core by vertically bonding two water mol­ecules in the [Ni(C5O5)2(H2O)2]2− coordination anion. The crystal structure is characterized by a three-dimensional network, involving strong K⋯O⋯K binding, K⋯O—Ni binding and hydrogen bonding. [ABSTRACT FROM AUTHOR]

In the title complex, (C6H8N)2[Zn(dmit)2] (dmit is 2-thioxo-1,3-dithiole-4,5-dithiol­ate, C3S5), each Zn atom is coordinated by four dmit S atoms that define a distorted tetra­hedral arrangement. The crystal structure is stabilized by C—H⋯S hydrogen bonding and S⋯S contacts. [ABSTRACT FROM AUTHOR]

The title compound, C13H6O4S5, possesses crystallographically imposed mirror symmetry, with the atoms of the C=S group lying on the mirror plane. It is an example of the general formula [ RCO]2(dmit), where R is a furan ring and dmit is 2-thioxo-1,3-dithiole-4,5-dithiol­ate. The components exhibit some polarization of their mol­ecular–electronic structure. The dmit and furan moieties exhibit a high degree of conjugation, as the introduction of C=O connecting the conjugated furan (donor) and dmit (acceptor) rings forms a good conjugated system with high delocalization. A polar three-dimensional framework is built from a combination of inter­molecular contacts, namely S⋯S inter­actions and C—H⋯O hydrogen bonding. The structural characteristics lead to good second-order non-linear optical properties. [ABSTRACT FROM AUTHOR]

Abstract  Both the title multi-sulfur molecules C5H2S5 (1) and C5H2OS4 (2) have a chair conformation, while molecule 1 has a higher degree of π-conjugation. Both the crystals are characterized by short S···S intermolecular contacts and by face-to-face column-like packing style, but crystal 1 has been more stabilized which may be the result of its stronger π–π intermolecular interactions. Compound 1 crystallizes in non-centrosymmetric polar space group Pmn21 with a = 10.6826(17), b = 9.3633(11), c = 4.0764(6) Å, V = 407.74(10) Å3, and Z = 2. The molecular dipole moment of 1 is ±62.5(1)° away from the macro-polarization direction along the c-axis. Consequently, the crystalline powder of crystal 1 exhibit a second harmonic generating (SHG) intensity 0.5 time strong as that of urea standard powder crystals when irradiated by a 1,080 nm of Nd:YAP laser beam. Compound 2 shows no SHG effect because it crystallizes in centrosymmtric space group Pbca with a = 11.4208(8), b = 7.8843(9), c = 33.587(3) Å, V = 3024.3(5) Å3, and Z = 16. Index Abstract  Structures and Non-linear Optical Properties of Multi-Sulfur π-Conjugated Compounds 4,5-Vinylenedithio-1,3-dithiole-2-thione (C5H2S5) and 4,5-Vinylenedithio-1,3-dithiole-2-one (C5H2OS4) Gang Xue, Qi Fang,* Wen-Tao Yu, Xia Chen, and Hong Lei Compound C5H2S5 crystallizes in the polar space group Pmn21 and its crystalline powder exhibits a second harmonic generating (SHG) intensity 0.5 times that of urea standard (1080 nm → 540 nm), while the similar compound C5H2OS4 has no SHG effect because of its centrosymmetric space group Pbca. [ABSTRACT FROM AUTHOR]

In the title compound, [(C3H7)4N]2[Hg(C3S5)2], each Hg atom is tetracoordinated by four S atoms in a distorted tetrahedral environment with Hg—S distances of 2.5217 (6)—2.5411 (8) Å. The crystal structure is mainly stabilized by van der Waals forces. [ABSTRACT FROM AUTHOR]

The article presents information on the structure of the coordination compound 4'-[4-(Imidazol-1-yl)phenyl]-2,2':6',2"-terpyridine (IPTP). Polypyridine ligands, in particular, the chelating ligand terpyridine and its functionalized derivatives have been studied extensively as outstanding complexing agents for a wide range of transition metal ions. IPTP is a novel compound containing terpyridine and imidazole coordination sites. In the study it was synthesized and characterized by 1H NMR, 13C NMR and single-crystal X-ray diffraction.

The title complex, [CdHg(NCS)4(C18H15P)2] n, contains slightly distorted trigonal bipyramidal CdN4S and tetrahedral HgP2S2. The CdII atom is coordinated by the N atoms of four thio­cyanate ions and the S atom of one thio­cyanate ion. The HgII atom is coordinated by two tri­phenyl­phosphine P atoms and two thio­cyanate S atoms. The two metal atoms, viz. CdII and HgII, are connected by an —S=C=N— bridge, forming an infinite three-dimensional network. [ABSTRACT FROM AUTHOR]

CdHg(SeCN)4 has an extended three-dimensional network structure in which the slightly distorted CdN4 and HgSe4 tetrahedra are connected by –SeCN– bridges. [ABSTRACT FROM AUTHOR]

The title molecule, C26H46O4, has symmetry. The non-H atoms of the octyloxy and methoxymethyl chains are almost coplanar with the benzene ring. There are weak C—H...O hydrogen bonds and C—H...π-ring interactions in the structure. The molecules are loosely packed in the structure. The unit-cell volume is 20% larger than is expected from the empirical rule pertinent to organic compounds, which states that the unit-cell volume (Å3) is approximately equal to the number of non-H atoms in the unit cell multiplied by 18. [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, Na+·C3H2N3O3−·H2O, contains double chains of edge-shared distorted NaO6 octahedra propagating in the [100] direction. The double chains are linked by the isocyanurate anions. [ABSTRACT FROM AUTHOR]

In the title complex, (C19H42N)[Ni(C3S5)2], the Ni atom is coordinated by four 2-thioxo-1,3-dithiole-4,5-dithiol­ate (dmit) S atoms. The [Ni(dmit)2]− monoanion has a planar geometry, with the central Ni atom and the four coordinated S atoms forming an NiS4 square plane. There are S⋯S inter­molecular contacts in the crystal structure. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title phospho­nium salt, C22H22O2P+·Br−·H2O, the triphenyl­phospho­sphonium group has three P—C bonds to phenyl rings which are equal within experimental error [mean 1.782 (3) Å] The P atom is also attached directly to the C atom of a 1,3-dioxan-2-ylmethyl group with a longer P—C bond of 1.800 (3) Å. The C—C bond of the dioxane ring [1.418 (5) Å] is shorter than the normal bond distance. The asymmetric unit contains two bromide anions on twofold rotation axes to balance the charge of the cation. [ABSTRACT FROM AUTHOR]

The molecules of the title compound, C11H13N3O3, are linked by O—H⋯N and N—H⋯O interactions into a linear hydrogen-bonded chain. [ABSTRACT FROM AUTHOR]

The title compound (alternative name dimethyl croconate), C7H6O5, is the first example of a croconate ether. The mol­ecule is essentially planar and exhibits a local symmetry ( C2 v) that is different from that shown by the croconate dianion ( C5 h), indicating that the geometry of these compounds is very sensitive to the electric charge state. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C23H19NO2, the mol­ecular backbone is nearly planar, with a dihedral angle of 11.58 (12)° between the planes of the carbazole and benzene groups. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, C13H10N, contains one half-mol­ecule of 4,4′-bis­[2-(2-pyrid­yl)vin­yl]biphenyl; the other half is generated by inversion symmetry. It displays a trans configuration with respect to the C=C bond. The dihedral angle between the pyridine and benzene rings is 15.1 (3)°. [ABSTRACT FROM AUTHOR]

The title molecule, C24H26N2O2, has its central C=C double bond placed on an inversion centre, and both indolin-2-one units are coplanar. The three terminal C atoms of the two butyl groups are disordered over two positions; the site occupancy factors are ca. 0.54 and 0.46. The central C=C bond exhibits an E configuration and is conjugated with the indole heterocycles. This aromatic character is related to the planarity of the isoindigo core and is reminiscent of that observed in stilbene. [ABSTRACT FROM AUTHOR]