Search

Your search keyword '"DIHEDRAL angles"' showing total 46 results
Start Over Descriptor "DIHEDRAL angles" Journal zeitschrift fur kristallographie / new crystal structures
46 results on '"DIHEDRAL angles"'

1. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2.

Author

Xiao, Li, GuoLiang, Jin, JinFeng, He, JiHui, Zhang, Lizhen, Chen, and JianLong, Wang

Subjects
*CRYSTAL structure, *COORDINATION polymers, *NITRIC acid, *GROUP 15 elements, *HYDROGEN atom, *METHOXY group, *DIHEDRAL angles
Abstract

Keywords: 2045147 EN 2045147 889 891 3 08/25/22 20221001 NES 221001 Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. So the methoxy group replaces the nitro group to form the title product. The initial therory was that the nitro group replaces all the hydrogen atoms in the benzene ring, resulting in an octaedro-nitro product [[7]]. [Extracted from the article]

Published
2022
Full Text
View/download PDF

2. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5.

Author

Al-Wahaibi, Lamya H., Blacque, Olivier, Tiekink, Edward R. T., and El-Emam, Ali A.

Subjects
*CRYSTAL structure, *DIHEDRAL angles, *MOLECULAR crystals, *MOLECULAR structure, *SODIUM bicarbonate
Abstract

The N1- and N2-nitro groups are twisted out of the phenyl ring they are connected to, as seen in the dihedral angles between the respective least-squares planes of 9.38(12)° and 9.94(16)°. Within the individual stacks comprising the chain, there are additional nitro-O I i (oxadiazole) interactions whereby the nitro-group is approximately parallel to a translationally related five-membered ring, forming a dihedral angle of 12.2(2)° [O4 Cg(oxadiazole) SP ii sp = 2.955(2) Å with angle at O4 = 92.42(14)° for ii: I x i , -1 + I y i , I z i ]. The molecule comprises a central 1,3,4-oxadiazole ring connected at the C1-position to an adamantan-1-yl residue and at the C2-position to a 3,5-dinitrophenyl ring. [Extracted from the article]

Published
2022
Full Text
View/download PDF

3. The crystal structure of 4,4′-dichloro-6,6′-dimethoxy-2,2′,3,3′,5,5′- hexanitroazobenzene, C14H6N8O14Cl2.

Author

Xiao, Li, GuoLiang, Jin, JinFeng, He, JiHui, Zhang, Lizhen, Chen, and JianLong, Wang

Subjects
CRYSTAL structure, COORDINATION polymers, NITRIC acid, GROUP 15 elements, HYDROGEN atom, METHOXY group, DIHEDRAL angles
Abstract

Keywords: 2045147 EN 2045147 889 891 3 08/25/22 20221001 NES 221001 Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. So the methoxy group replaces the nitro group to form the title product. The initial therory was that the nitro group replaces all the hydrogen atoms in the benzene ring, resulting in an octaedro-nitro product [[7]]. [Extracted from the article]

Published
2022
Full Text
View/download PDF

4. Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5.

Author

Al-Wahaibi, Lamya H., Blacque, Olivier, Tiekink, Edward R. T., and El-Emam, Ali A.

Subjects
CRYSTAL structure, DIHEDRAL angles, MOLECULAR crystals, MOLECULAR structure, SODIUM bicarbonate
Abstract

The N1- and N2-nitro groups are twisted out of the phenyl ring they are connected to, as seen in the dihedral angles between the respective least-squares planes of 9.38(12)° and 9.94(16)°. Within the individual stacks comprising the chain, there are additional nitro-O I i (oxadiazole) interactions whereby the nitro-group is approximately parallel to a translationally related five-membered ring, forming a dihedral angle of 12.2(2)° [O4 Cg(oxadiazole) SP ii sp = 2.955(2) Å with angle at O4 = 92.42(14)° for ii: I x i , -1 + I y i , I z i ]. The molecule comprises a central 1,3,4-oxadiazole ring connected at the C1-position to an adamantan-1-yl residue and at the C2-position to a 3,5-dinitrophenyl ring. [Extracted from the article]

Published
2022
Full Text
View/download PDF

5. The crystal structure of [(2,2′-bipyridine-k2N,N)-bis(6-phenylpyridine-2-carboxylato-k2N,O)cobalt(II)]-monohydrate, C36H26N4O5Co.

Author

Tai, Xi-Shi and Xia, Yu-Pei

Subjects
*COBALT, *CRYSTAL structure, *HYDROGEN bonding, *CLASS A metals, *COPPER, *MOLECULAR structure, *DIHEDRAL angles, *BOND angles, *SCHIFF bases
Abstract

The crystal structure of [(2,2'-bipyridine-k2N,N)-bis(6-phenylpyridine-2-carboxylato-k2N,O)cobalt(II)]-monohydrate, C36H26N4O5Co 14 Tai, X.-S., Zhang, L.-L., Liu, L.-L., Cao, S.-H., Wang, L.-H. The crystal structure of bis(ethanol- O)- bis(6-aminopicolinato-N,O)manganese(II), C16H22O6N4Mn. 13 Wang, L.-H., Wang, Z.-J., Ouyang, J., Tai, X.-S. [Extracted from the article]

Published
2022
Full Text
View/download PDF

6. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3.

Author

Li, Zhaoyan

Subjects
*MOLECULAR structure, *CHEMICAL bond lengths, *DOUBLE bonds, *HYDROGEN bonding, *DIHEDRAL angles, *DNA structure
Abstract

The I U i SB iso sb values were constrained to be 1.5 I U i SB eq sb of the carrier atom for methyl H atoms and oxygen H atoms and 1.2 I U i SB eq sb for the remaining H atoms. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. In the crystal structure, O-H---O and N-H---O hydrogen bonds link the molecules into two-dimensional networks in the I ac i plane. [Extracted from the article]

Published
2022
Full Text
View/download PDF

7. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3.

Author

Li, Zhaoyan

Subjects
*CRYSTAL structure, *MOLECULAR structure, *DOUBLE bonds, *COORDINATE covalent bond, *DIHEDRAL angles
Abstract

5 Yan, X., Zhong, S., Zhang, H. The crystal structure of (E)-N'-(1-(3-chloro-4-fluorophenyl) ethylidene-2-hydroxybenzohydrazine, C15H12ClFN2O2. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. 6 Chantrapromma, S., Kwong, H. C., Prachumrat, P., Kobkeatthawin, T., Chia, T. S., Quah, C. K. Crystal structure of (E)-N'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide. [Extracted from the article]

Published
2022
Full Text
View/download PDF

8. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)-4-hydroxybenzohydrazide, C15H13ClN2O3.

Author

Li, Zhaoyan

Subjects
MOLECULAR structure, CHEMICAL bond lengths, DOUBLE bonds, HYDROGEN bonding, DIHEDRAL angles, DNA structure
Abstract

The I U i SB iso sb values were constrained to be 1.5 I U i SB eq sb of the carrier atom for methyl H atoms and oxygen H atoms and 1.2 I U i SB eq sb for the remaining H atoms. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. In the crystal structure, O-H---O and N-H---O hydrogen bonds link the molecules into two-dimensional networks in the I ac i plane. [Extracted from the article]

Published
2022
Full Text
View/download PDF

9. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl)propylidene)-4-hydroxybenzohydrazide, C16H15ClN2O3.

Author

Li, Zhaoyan

Subjects
CRYSTAL structure, MOLECULAR structure, DOUBLE bonds, COORDINATE covalent bond, DIHEDRAL angles
Abstract

5 Yan, X., Zhong, S., Zhang, H. The crystal structure of (E)-N'-(1-(3-chloro-4-fluorophenyl) ethylidene-2-hydroxybenzohydrazine, C15H12ClFN2O2. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. 6 Chantrapromma, S., Kwong, H. C., Prachumrat, P., Kobkeatthawin, T., Chia, T. S., Quah, C. K. Crystal structure of (E)-N'-(3,4-dihydroxybenzylidene)-4-hydroxybenzohydrazide. [Extracted from the article]

Published
2022
Full Text
View/download PDF

10. The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9.

Author

Wang, Yong, Wu, Bingheng, Yuan, Jun, Cao, Duanlin, Wang, Jianlong, and Chen, Lizhen

Subjects
*CRYSTAL structure, *COORDINATION polymers, *BRIDGING ligands, *DIHEDRAL angles, *ATOMIC displacements, *BOND angles, *ETHANES
Abstract

The nitroimidazole rings are almost flat, and the dihedral angle of the two nitroimidazole rings is 46.18°. Keywords: 2142303 EN 2142303 247 248 2 03/11/22 20220401 NES 220401 The asymmetric unit of the title crystal structure is shown in the figure. The asymmetric unit of the title structure contains one target molecule and one acetone molecule (see the Figure). [Extracted from the article]

Published
2022
Full Text
View/download PDF

11. The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C3H15MgN7O12.

Author

Tong, Zhang, Guangyuan, Zhang, Zishuai, Xu, Jian, Ruan, Lizhen, Chen, and Jianlong, Wang

Subjects
*CRYSTAL structure, *HYDROGEN bonding, *MOLECULAR structure, *METAL nitrides, *MAGNESIUM compounds, *DIHEDRAL angles, *HYDROGEN atom
Abstract

10 Sul, M., Kim, M., Kim, J. Synthesis of a nitrogen-rich insensitive energetic material, DNAM (Dinitroammeline). As shown in the figure, the crystal structure of the title compound is formed by DNAM after removing two hydrogen atoms as anions and hexaaqua magnesium complexes as cations. Keywords: 2150098 EN 2150098 309 310 2 03/11/22 20220401 NES 220401 Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. [Extracted from the article]

Published
2022
Full Text
View/download PDF

12. Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S.

Author

Li, Cui-Cui and Zhang, Li

Subjects
*CRYSTAL structure, *HYDROGEN bonding, *RING-opening polymerization, *COPPER, *MOLECULAR structure, *PICRIC acid, *SCHIFF bases, *DIHEDRAL angles
Abstract

Comment Thiophene hydrazone schiff bases are attracting more and more attention due to their biological activities and wide applications in coordination chemistry [[3]], [[4]], [[5]], [[6]], [[7]], [[8]], [[9]], [[10]]. 10 Ali, H., Mohammad, M., Yusof, M.-S.-M., Yamin, B.-M. Bis{ -2'-[1-(4-chloro-2-oxidophenyl)ethylidene]thiophene-2-carbohydrazidato}bis[pyridinezinc(II)]. 9 Ma, J.-H., Wu, W.-S., Zhang, X.-Q., Tang, S.-J., Lin, X.-Y. [Extracted from the article]

Published
2022
Full Text
View/download PDF

13. Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5.

Author

Wang, Yin-Xin, Qin, Kun, Wang, Rui, Zhang, Wen-Li, and Zhong, Qi-Di

Subjects
*CRYSTAL structure, *MOLECULAR structure, *HETEROCYCLIC compounds, *DIHEDRAL angles, *ORGANIC compounds, *CHALCONE
Abstract

9 Asif, M. A Mini review: biological significances of nitrogen hetero atom containing heterocyclic compounds. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. In the molecules forming the title crystal structure, the dihedral angle of ring formed by C8-C11 and the moiety formed by C7-C11 is 26.4°. [Extracted from the article]

Published
2022
Full Text
View/download PDF

14. The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3.

Author

Sun, An-Na, Huang, Xiao-Bo, and Wu, Deng-Ze

Subjects
*CRYSTAL structure, *HYDROGEN bonding, *MOLECULAR structure, *MOLECULAR conformation, *CHEMICAL bond lengths, *ETHYL acetate, *DIHEDRAL angles
Abstract

The molecular structure is shown in the figure (H atoms are omitted for clarity). Therefore, the investigation on the crystal structures of 4 I H i -pyran derivatives has received wide attention [[9]], [[10]], [[11]]. Experimental details H atoms were positioned geometrically and refined using a riding model, with I U i SB iso sb (H) = 1.5 I U i SB eq sb (C) for methyl H atoms and 1.2 I U i SB eq sb (C) for all other H atoms. [Extracted from the article]

Published
2022
Full Text
View/download PDF

15. Crystal structure of 2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, C15H11N5S.

Author

Sun, Guo-Xiang, Min, Li-Jing, Han, Liang, and Liu, Xing-Hai

Subjects
*CRYSTAL structure, *ACETONITRILE, *BOND angles, *MOLECULAR structure, *DIHEDRAL angles
Abstract

Comment 1,2,4-Triazole compounds are attractive because of their excellent biological activity [[6]], [[7]], [[8]]. The bond angles and bond lengths of the title compound (pyridine ring, 1,2,4-triazole ring and phenyl ring) are all in the normal ranges [[11]-[13]]. A pyridinyl substituted 1,2,4-triazole possessed diversity biological activities, such as antimicrobial activity [[9]] and there are related compounds that show fungicidal activity [[10]]. [Extracted from the article]

Published
2022
Full Text
View/download PDF

16. The crystal structure of hexaquamagnesium(II) (2,4-bis(nitroimino)-6-oxo-1,3,5-triazinane-1,3-diide), C3H15MgN7O12.

Author

Tong, Zhang, Guangyuan, Zhang, Zishuai, Xu, Jian, Ruan, Lizhen, Chen, and Jianlong, Wang

Subjects
CRYSTAL structure, HYDROGEN bonding, MOLECULAR structure, METAL nitrides, MAGNESIUM compounds, DIHEDRAL angles, HYDROGEN atom
Abstract

10 Sul, M., Kim, M., Kim, J. Synthesis of a nitrogen-rich insensitive energetic material, DNAM (Dinitroammeline). As shown in the figure, the crystal structure of the title compound is formed by DNAM after removing two hydrogen atoms as anions and hexaaqua magnesium complexes as cations. Keywords: 2150098 EN 2150098 309 310 2 03/11/22 20220401 NES 220401 Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. [Extracted from the article]

Published
2022
Full Text
View/download PDF

17. The crystal structure of 1,2-bis(2,4-dinitro-1H-imidazol-1-yl)ethane ─ acetone (1/1), C11H12N8O9.

Author

Wang, Yong, Wu, Bingheng, Yuan, Jun, Cao, Duanlin, Wang, Jianlong, and Chen, Lizhen

Subjects
CRYSTAL structure, COORDINATION polymers, BRIDGING ligands, DIHEDRAL angles, ATOMIC displacements, BOND angles, ETHANES
Abstract

The nitroimidazole rings are almost flat, and the dihedral angle of the two nitroimidazole rings is 46.18°. Keywords: 2142303 EN 2142303 247 248 2 03/11/22 20220401 NES 220401 The asymmetric unit of the title crystal structure is shown in the figure. The asymmetric unit of the title structure contains one target molecule and one acetone molecule (see the Figure). [Extracted from the article]

Published
2022
Full Text
View/download PDF

18. Crystal structure of (E)-1-(4-benzyl-3,5-dioxomorpholin-2-ylidene)ethyl acetate, C15H15N1O5.

Author

Wang, Yin-Xin, Qin, Kun, Wang, Rui, Zhang, Wen-Li, and Zhong, Qi-Di

Subjects
CRYSTAL structure, MOLECULAR structure, HETEROCYCLIC compounds, DIHEDRAL angles, ORGANIC compounds, CHALCONE
Abstract

9 Asif, M. A Mini review: biological significances of nitrogen hetero atom containing heterocyclic compounds. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. In the molecules forming the title crystal structure, the dihedral angle of ring formed by C8-C11 and the moiety formed by C7-C11 is 26.4°. [Extracted from the article]

Published
2022
Full Text
View/download PDF

19. The crystal structure of 2-(2-methyl-6-phenyl-4H-pyran-4-ylidene)-1H-indene-1,3(2H)-dione, C21H14O3.

Author

Sun, An-Na, Huang, Xiao-Bo, and Wu, Deng-Ze

Subjects
CRYSTAL structure, HYDROGEN bonding, MOLECULAR structure, MOLECULAR conformation, CHEMICAL bond lengths, ETHYL acetate, DIHEDRAL angles
Abstract

The molecular structure is shown in the figure (H atoms are omitted for clarity). Therefore, the investigation on the crystal structures of 4 I H i -pyran derivatives has received wide attention [[9]], [[10]], [[11]]. Experimental details H atoms were positioned geometrically and refined using a riding model, with I U i SB iso sb (H) = 1.5 I U i SB eq sb (C) for methyl H atoms and 1.2 I U i SB eq sb (C) for all other H atoms. [Extracted from the article]

Published
2022
Full Text
View/download PDF

20. Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6.

Author

Liu, Yulong, Dong, Zhaojia, Fu, Ying, and Guo, Youquan

Subjects
*DIPHENYL, *ACETIC acid, *PYRENE, *DIHEDRAL angles, *CRYSTAL structure
Abstract

C66H44N6, triclinic, P1̄ (no. 2), a = 9.773(2) Å, b = 14.406(3) Å, c = 18.385(4) Å, α = 72.64(3)°, β = 82.10(3)°, γ = 76.90(3)°, V = 2399.5(8) Å3, Z = 2, Rgt(F) = 0.0546, wRref(F2) = 0.1559, T = 153(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

21. Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6.

Author

Liu, Yulong, Dong, Zhaojia, Fu, Ying, and Guo, Youquan

Subjects
DIPHENYL, ACETIC acid, PYRENE, DIHEDRAL angles, CRYSTAL structure
Abstract

C66H44N6, triclinic, P1̄ (no. 2), a = 9.773(2) Å, b = 14.406(3) Å, c = 18.385(4) Å, α = 72.64(3)°, β = 82.10(3)°, γ = 76.90(3)°, V = 2399.5(8) Å3, Z = 2, Rgt(F) = 0.0546, wRref(F2) = 0.1559, T = 153(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

22. Crystal Structure of ethyl (<italic>E</italic>)-2,4-dimethyl-5-((2-tosylhydrazono)methyl)-1<italic>H</italic>-pyrrole-3-carboxylate monohydrate, C17H23N3O5.

Author

Lu, Zhongliang, Ren, Jingzhang, and Wu, Wei-Na

Subjects
*CARBOXYLATE derivatives, *CRYSTAL structure, *PYRROLE derivatives, *HYDRAZONES, *DIHEDRAL angles, *INTERMOLECULAR interactions
Abstract

C17H23N3O5, monoclinic, P21/n (No. 14), a = 12.8132(12) Å, b = 21.4531(19) Å, c = 15.3438(14) Å, β = 114.308(2)°, V = 3843.8(6) Å3, Z = 8, Rgt(F) = 0.0652, wRref(F2) = 0.2297, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

23. Crystal Structure of ethyl (<italic>E</italic>)-2,4-dimethyl-5-((2-tosylhydrazono)methyl)-1<italic>H</italic>-pyrrole-3-carboxylate monohydrate, C17H23N3O5.

Author

Lu, Zhongliang, Ren, Jingzhang, and Wu, Wei-Na

Subjects
CARBOXYLATE derivatives, CRYSTAL structure, PYRROLE derivatives, HYDRAZONES, DIHEDRAL angles, INTERMOLECULAR interactions
Abstract

C17H23N3O5, monoclinic, P21/n (No. 14), a = 12.8132(12) Å, b = 21.4531(19) Å, c = 15.3438(14) Å, β = 114.308(2)°, V = 3843.8(6) Å3, Z = 8, Rgt(F) = 0.0652, wRref(F2) = 0.2297, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

24. Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl- 5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f ][1,3,2]diazaborinine - a Z'=3 structure, C19H18B2F3N2.

Author

Yingfan Liu, Ming Yan, Xiaochuan Li, Yajuan Li, and Young-A Son

Subjects
*S-Indacene, *FLUORINE compounds, *CRYSTAL structure, *INTRAMOLECULAR forces, *DIHEDRAL angles, *HYDROGEN bonding interactions
Abstract

C19H18B2F3N2, triclinic, P1 (no.2), a=10.8885(6) Å, b=13.9767(8) Å, c=18.1330(10) Å, α=79.3484(19)°, β=86.2213(9)°; γ=73.461(2)°; V =2599.6(3) ų, Z =6, Rgt(F)=0.0450, wRref(F2)=0.1105, T =296 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

25. Crystal structure of 5,5-difluoro-10-(4-fluorophenyl)-1,3,7,9-tetramethyl- 5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f ][1,3,2]diazaborinine - a Z'=3 structure, C19H18B2F3N2.

Author

Yingfan Liu, Ming Yan, Xiaochuan Li, Yajuan Li, and Young-A Son

Subjects
S-Indacene, FLUORINE compounds, CRYSTAL structure, INTRAMOLECULAR forces, DIHEDRAL angles, HYDROGEN bonding interactions
Abstract

C19H18B2F3N2, triclinic, P1 (no.2), a=10.8885(6) Å, b=13.9767(8) Å, c=18.1330(10) Å, α=79.3484(19)°, β=86.2213(9)°; γ=73.461(2)°; V =2599.6(3) ų, Z =6, Rgt(F)=0.0450, wRref(F2)=0.1105, T =296 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

26. Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba- nido-undecaborane-κ2 P,P′)-(benzoato-κ2 O,O′)nickel(II), C21H42B9NiO2P2.

Author

Liguo, Yang, xin, Wang, Qianqian, Gao, and Yuqiang, Dai

Subjects
*CRYSTAL structure, *METHYL chloride, *DICHLOROMETHANE, *DIHEDRAL angles, *FOURIER transform infrared spectroscopy
Abstract

C21H42B9NiO2P2, monoclinic, P21/ c, a = 9.3840(9)Å, b = 17.0119(18) Å, c = 19.9631(19) Å, β = 112.250(2)°, V = 2949.6(5)Å3, Z = 4, Rgt( F) = 0.0585, wRref( F2) = 0.1489, T = 298 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

27. Crystal structure of di- μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba- closo-dodecaborane- κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2.

Author

Xin, Wang, Liguo, Yang, Qianqian, Gao, and Yuqiang, Dai

Subjects
*CRYSTAL structure, *SINGLE crystals, *METHYL chloride, *HYDROGEN atom, *DIHEDRAL angles
Abstract

C52H108B20Cl2P4Zn2, monoclinic, C2/ c (no. 15), a = 31.783(3) Å, b = 10.0780(10) Å, c = 24.9326(19) Å, β = 109.901(2)°, V = 7509.2(11) Å3, Z = 4, Rgt( F) = 0.0569, wRref( F2) = 0.0972, T = 298 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

28. Crystal structure (7,8-bis(diisopropylphosphino)-7,8-dicarba- nido-undecaborane-κ2 P,P′)-(benzoato-κ2 O,O′)nickel(II), C21H42B9NiO2P2.

Author

Liguo, Yang, xin, Wang, Qianqian, Gao, and Yuqiang, Dai

Subjects
CRYSTAL structure, METHYL chloride, DICHLOROMETHANE, DIHEDRAL angles, FOURIER transform infrared spectroscopy
Abstract

C21H42B9NiO2P2, monoclinic, P21/ c, a = 9.3840(9)Å, b = 17.0119(18) Å, c = 19.9631(19) Å, β = 112.250(2)°, V = 2949.6(5)Å3, Z = 4, Rgt( F) = 0.0585, wRref( F2) = 0.1489, T = 298 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

29. Crystal structure of di- μ-chlorido-bis[1,2-bis(dicyclohexylphosphino)-1,2-dicarba- closo-dodecaborane- κ2P,P′]zinc(II), C52H108B20Cl2P4Zn2.

Author

Xin, Wang, Liguo, Yang, Qianqian, Gao, and Yuqiang, Dai

Subjects
CRYSTAL structure, SINGLE crystals, METHYL chloride, HYDROGEN atom, DIHEDRAL angles
Abstract

C52H108B20Cl2P4Zn2, monoclinic, C2/ c (no. 15), a = 31.783(3) Å, b = 10.0780(10) Å, c = 24.9326(19) Å, β = 109.901(2)°, V = 7509.2(11) Å3, Z = 4, Rgt( F) = 0.0569, wRref( F2) = 0.0972, T = 298 K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

30. Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5.

Author

Sun, Yutong, Wang, Hao, and Hong, Wei

Subjects
*TRIAZOLES, *HETEROCYCLIC compounds, *ALKALIES, *DIHEDRAL angles, *CRYSTAL structure
Abstract

C24H21N3O5, orthorhombic, Pbca (no. 61), a = 8.4167(7) Å, b = 14.0370(10) Å, c = 34.664(3) Å, V = 4095.4(6) Å3, Z = 8, Rgt(F) = 0.0457, wRref(F2) = 0.1001, T = 150(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

31. Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5.

Author

Sun, Yutong, Wang, Hao, and Hong, Wei

Subjects
TRIAZOLES, HETEROCYCLIC compounds, ALKALIES, DIHEDRAL angles, CRYSTAL structure
Abstract

C24H21N3O5, orthorhombic, Pbca (no. 61), a = 8.4167(7) Å, b = 14.0370(10) Å, c = 34.664(3) Å, V = 4095.4(6) Å3, Z = 8, Rgt(F) = 0.0457, wRref(F2) = 0.1001, T = 150(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

32. Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2.

Author

Zhang, Heng-Qiang, Wu, Qiong, Jin, Tong-Yin, Li, Ying-Ying, and Chen, Hong-Li

Subjects
*ANILINE, *ANISIDINE, *PYRAZOLONES, *CRYSTAL structure, *DIHEDRAL angles
Abstract

C21H16ClN3O2, monoclinic, C2/c (no. 15), a = 19.0523(19) Å, b = 9.3818(8) Å, c = 21.0602(17) Å, β = 107.303(10)°, V = 3594.0(6) Å3, Z = 8, Rgt(F) = 0.0644, wRref(F2) = 0.1655, T = 173(1) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

33. Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2.

Author

Zhang, Heng-Qiang, Wu, Qiong, Jin, Tong-Yin, Li, Ying-Ying, and Chen, Hong-Li

Subjects
ANILINE, ANISIDINE, PYRAZOLONES, CRYSTAL structure, DIHEDRAL angles
Abstract

C21H16ClN3O2, monoclinic, C2/c (no. 15), a = 19.0523(19) Å, b = 9.3818(8) Å, c = 21.0602(17) Å, β = 107.303(10)°, V = 3594.0(6) Å3, Z = 8, Rgt(F) = 0.0644, wRref(F2) = 0.1655, T = 173(1) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

34. Crystal structure of {5,5′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4<italic>N</italic>,<italic>N′</italic>,<italic>N′′</italic>,<italic>N′′′</italic>}zinc(II), C23H30N4O4Cu

Author

Han, Xue-Feng, Yang, Qing-Wen, Yang, Miao, and Wu, Wei-Na

Subjects
*ZINC compounds, *PYRROLE derivatives, *CRYSTAL structure, *COPPER compounds, *AMINES, *DIHEDRAL angles
Abstract

C13H17N3OS, monoclinic, P1̅ (no. 2), a = 7.746(6) Å, b = 12.344(9) Å, c = 12.655(9) Å, α = 95.766(7)°, β = 98.007(7)°, γ = 101.595(13)°, V = 1163.4(15) Å3, Z = 2, Rgt(F) = 0.0550, wRref(F2) = 0.1616, T = 296(2) K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

35. Crystal structure of ethyl 1-(4-fluorobenzyl)-3-phenyl-1<italic>H</italic>-pyrazole-5-carboxylate, C19H17FN2O2.

Author

Tong, Sheng-Yue, You, Jin-Zong, Zhang, Yi-Ping, Wang, Zhen-Zhen, Yu, Ke-Ji, Hu, Qiong, Pan, Hui-Juan, Wu, Cheng-Jie, and Qi, De-Qiang

Subjects
*CARBOXYLATE derivatives, *CRYSTAL structure, *PYRAZOLE derivatives, *CHEMICAL bond lengths, *DIHEDRAL angles
Abstract

C19H17FN2O2, triclinic, P1̅ (no. 2), a = 7.8593(19) Å, b = 10.3322(18) Å, c = 10.9747(19) Å, α = 108.914(18)°, β = 92.931(3)°, γ = 99.544(3)°, V = 826.1(3) Å3, Z = 2, Rgt(F) = 0.0431, wRref(F2) = 0.1170, T = 296.15 K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

36. Crystal structure of ethyl 1-(4-bromobenzyl)-3-phenyl-1<italic>H</italic>-pyrazole-5-carboxylate, C19H17BrN2O2.

Author

Wang, Zhen-Zhen, You, Jin-Zong, Zhang, Yi-Ping, Tong, Sheng-Yue, Yu, Ke-Ji, Hu, Qiong, Guo, Yan-Qi, Liu, Dan, and Qi, De-Qiang

Subjects
*CARBOXYLATES, *CRYSTAL structure, *PYRAZOLE derivatives, *CHEMICAL bond lengths, *DIHEDRAL angles
Abstract

C19H17BrN2O2, triclinic, P1̅ (no. 2), a = 8.3979(11) Å, b = 10.4083(14) Å, c = 11.1696(15) Å, α = 69.270(2)°, β = 89.401(2)°, γ = 73.709(2)°, V = 872.1(2) Å3, Z = 2, Rgt(F) = 0.0422, wRref(F2) = 0.1138, T = 296.15 K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

37. Crystal structure of ethyl 1-(4-fluorobenzyl)-3-phenyl-1<italic>H</italic>-pyrazole-5-carboxylate, C19H17FN2O2.

Author

Tong, Sheng-Yue, You, Jin-Zong, Zhang, Yi-Ping, Wang, Zhen-Zhen, Yu, Ke-Ji, Hu, Qiong, Pan, Hui-Juan, Wu, Cheng-Jie, and Qi, De-Qiang

Subjects
CARBOXYLATE derivatives, CRYSTAL structure, PYRAZOLE derivatives, CHEMICAL bond lengths, DIHEDRAL angles
Abstract

C19H17FN2O2, triclinic, P1̅ (no. 2), a = 7.8593(19) Å, b = 10.3322(18) Å, c = 10.9747(19) Å, α = 108.914(18)°, β = 92.931(3)°, γ = 99.544(3)°, V = 826.1(3) Å3, Z = 2, Rgt(F) = 0.0431, wRref(F2) = 0.1170, T = 296.15 K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

38. Crystal structure of ethyl 1-(4-bromobenzyl)-3-phenyl-1<italic>H</italic>-pyrazole-5-carboxylate, C19H17BrN2O2.

Author

Wang, Zhen-Zhen, You, Jin-Zong, Zhang, Yi-Ping, Tong, Sheng-Yue, Yu, Ke-Ji, Hu, Qiong, Guo, Yan-Qi, Liu, Dan, and Qi, De-Qiang

Subjects
CARBOXYLATES, CRYSTAL structure, PYRAZOLE derivatives, CHEMICAL bond lengths, DIHEDRAL angles
Abstract

C19H17BrN2O2, triclinic, P1̅ (no. 2), a = 8.3979(11) Å, b = 10.4083(14) Å, c = 11.1696(15) Å, α = 69.270(2)°, β = 89.401(2)°, γ = 73.709(2)°, V = 872.1(2) Å3, Z = 2, Rgt(F) = 0.0422, wRref(F2) = 0.1138, T = 296.15 K. [ABSTRACT FROM AUTHOR]

Published
2018
Full Text
View/download PDF

39. The crystal structure of (E)-N'-(quinolin-2- ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3.

Author

Wang Li-Hua and Tai Xi-Shi

Subjects
*HYDRAZONE derivatives, *CRYSTAL structure, *HYDRAZINE derivatives, *DIHEDRAL angles, *LUMINESCENCE
Abstract

C15H13N3O3, triclinic, P1, a=6.4662(13) Å, b=7.1213(14) Å, c=15.373(3) Å, α=80.09(3)°, β=88.40(3)°, γ=74.81(3)°, V =672.9(3) ų, Z =2, Rgt(F)=0.0503, wRref(F2)=0.1572, T =293(2) K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

40. Crystal structure of ethyl 5-methyl-1-(pyridin-3- yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2.

Author

Brito, Iván, Araneda, Catherine, Kesternich, Victor, Pérez-Fehrmann, Marcia, and Cárdenas, Alejandro

Subjects
*TRIAZOLE derivatives, *CARBOXYLATES, *CRYSTAL structure, *COORDINATION polymers, *DIHEDRAL angles, *INTERMOLECULAR interactions
Abstract

C11H12N4O2, monoclinic, P21/c (no. 14), a=12.0258(15) Å, b= 8.0563(10) Å, c=12.4478(13) Å, β=104.157(4)°, V =1169.4(2) ų, Z =4, Rgt(F)=0.0619, wRref(F²)=0.1616, T =293(2) K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

41. (E)-N-benzylidene-3-(benzylthio)-5-p-tolyl-4H- 1,2,4-triazol-4-amine, C23H20N4S.

Author

Qichun Ding, Shudong Dai, Hongxu Guo, and Li-Xue Zhang

Subjects
*TRIAZOLE derivatives, *BENZYLIDENE compounds, *CRYSTAL structure, *BENZENE, *CHEMICAL bond lengths, *DIHEDRAL angles
Abstract

C23H20N4S, Monoclinic, P21/n (no. 14), a=11.439(3) Å, β=8.868(2) Å, c=20.557(5) Å, β=104.542(4)°, V =2018.7(8) ų, Z =4, Rgt(F)=0.0449, wRref(F2)=0.1266, T=298(2) K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

42. Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1- naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2.

Author

Peng-Peng Li, Li Zhao, Ji-Xing Zhao, and Zhao-Bin Zhu

Subjects
*OXIMES, *ACETOPHENONE, *CRYSTAL structure, *DIHEDRAL angles, *HYDROGEN bonding interactions, *COORDINATE covalent bond
Abstract

C19H16N2O2, monoclinic P21/c (no. 14), a=14.1712(6) Å, b=7.3611(3) Å, c=14.4212(8) Å, β=90.665(5)°, Z =4, V =1504.24(12) Å3, Rgt(F)=0.0633, wRref(F2)=0.1648, T=291 K [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

43. The crystal structure of (E)-N'-(quinolin-2- ylmethylene)furan-2-carbohydrazide monohydrate, C15H13N3O3.

Author

Wang Li-Hua and Tai Xi-Shi

Subjects
HYDRAZONE derivatives, CRYSTAL structure, HYDRAZINE derivatives, DIHEDRAL angles, LUMINESCENCE
Abstract

C15H13N3O3, triclinic, P1, a=6.4662(13) Å, b=7.1213(14) Å, c=15.373(3) Å, α=80.09(3)°, β=88.40(3)°, γ=74.81(3)°, V =672.9(3) ų, Z =2, Rgt(F)=0.0503, wRref(F2)=0.1572, T =293(2) K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

44. Crystal structure of ethyl 5-methyl-1-(pyridin-3- yl)-1H-1,2,3-triazole-4-carboxylate, C11H12N4O2.

Author

Brito, Iván, Araneda, Catherine, Kesternich, Victor, Pérez-Fehrmann, Marcia, and Cárdenas, Alejandro

Subjects
TRIAZOLE derivatives, CARBOXYLATES, CRYSTAL structure, COORDINATION polymers, DIHEDRAL angles, INTERMOLECULAR interactions
Abstract

C11H12N4O2, monoclinic, P21/c (no. 14), a=12.0258(15) Å, b= 8.0563(10) Å, c=12.4478(13) Å, β=104.157(4)°, V =1169.4(2) ų, Z =4, Rgt(F)=0.0619, wRref(F²)=0.1616, T =293(2) K. [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

45. Crystal structure of (E)-1-(4-{[(E)-2-Hydroxy-1- naphthalenylmethylene] amino}phenyl)ethanone oxime, C19H16N2O2.

Author

Peng-Peng Li, Li Zhao, Ji-Xing Zhao, and Zhao-Bin Zhu

Subjects
OXIMES, ACETOPHENONE, CRYSTAL structure, DIHEDRAL angles, HYDROGEN bonding interactions, COORDINATE covalent bond
Abstract

C19H16N2O2, monoclinic P21/c (no. 14), a=14.1712(6) Å, b=7.3611(3) Å, c=14.4212(8) Å, β=90.665(5)°, Z =4, V =1504.24(12) Å3, Rgt(F)=0.0633, wRref(F2)=0.1648, T=291 K [ABSTRACT FROM AUTHOR]

Published
2017
Full Text
View/download PDF

46. Crystal structure of trans-bis(nitrato-κO)bis(4-phenylpyridine-κN)palladium( II), Pd(NO3)2(C11H9N)2, C22H18N4O6Pd.

Author

Ha, Kwang

Subjects
*PALLADIUM compounds, *CRYSTAL structure, *CRYSTALLOGRAPHY, *HYDROGEN atom, *DIHEDRAL angles, *MOLECULAR structure
Abstract

C22H18N4O6Pd, monoclinic, C2/c (no. 15), a = 20.336(3) Å, b = 8.424(1) Å, c = 15.024(2) Å, β = 127.673(2)°, V = 2037.0 Å3, Z = 4, Rgt(F) = 0.0188, wRref(F2) = 0.0526, T = 200 K. [ABSTRACT FROM AUTHOR]

Published
2014
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results