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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...

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Detalles Bibliográficos
Autores principales: Zhu, Ai-Xin, Liu, Jun-Na, Li, Zhen, Wang, Hong-Can, Du, Yuan-Chao
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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