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Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate
A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C(16)H(12)N(6)S(2)·2H(2)O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. In the molecule, the mean planes of the benzene and tria...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089328/ https://www.ncbi.nlm.nih.gov/pubmed/21754507 http://dx.doi.org/10.1107/S1600536811014607 |
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author | Zhu, Ai-Xin Liu, Jun-Na Li, Zhen Wang, Hong-Can Du, Yuan-Chao |
author_facet | Zhu, Ai-Xin Liu, Jun-Na Li, Zhen Wang, Hong-Can Du, Yuan-Chao |
author_sort | Zhu, Ai-Xin |
collection | PubMed |
description | A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C(16)H(12)N(6)S(2)·2H(2)O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. In the molecule, the mean planes of the benzene and triazole rings are close to being coplanar and are separated by a dihedral angle of 2.08 (15)°. The triazole rings are twisted by a dihedral angle of 37.67 (6)° from the disulfide linkage. The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯N hydrogen bonds with the water molecules, forming a three-dimensional supramolecular network. |
format | Text |
id | pubmed-3089328 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30893282011-07-13 Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate Zhu, Ai-Xin Liu, Jun-Na Li, Zhen Wang, Hong-Can Du, Yuan-Chao Acta Crystallogr Sect E Struct Rep Online Organic Papers A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C(16)H(12)N(6)S(2)·2H(2)O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. In the molecule, the mean planes of the benzene and triazole rings are close to being coplanar and are separated by a dihedral angle of 2.08 (15)°. The triazole rings are twisted by a dihedral angle of 37.67 (6)° from the disulfide linkage. The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯N hydrogen bonds with the water molecules, forming a three-dimensional supramolecular network. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089328/ /pubmed/21754507 http://dx.doi.org/10.1107/S1600536811014607 Text en © Zhu et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Zhu, Ai-Xin Liu, Jun-Na Li, Zhen Wang, Hong-Can Du, Yuan-Chao Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title | Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title_full | Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title_fullStr | Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title_full_unstemmed | Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title_short | Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate |
title_sort | bis(5-phenyl-1h-1,2,4-triazol-3-yl) disulfide dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089328/ https://www.ncbi.nlm.nih.gov/pubmed/21754507 http://dx.doi.org/10.1107/S1600536811014607 |
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