Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate

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, C16H12N6S2·2H2O, 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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Main Authors: Ai-Xin Zhu, Jun-Na Liu, Zhen Li, Hong-Can Wang, Yuan-Chao Du
Format: Article
Language:English
Published: International Union of Crystallography 2011-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811014607
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spelling doaj-17f324b0f7a14d40bce6a478f74d6db22020-11-24T21:32:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-05-01675o1208o120810.1107/S1600536811014607Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrateAi-Xin ZhuJun-Na LiuZhen LiHong-Can WangYuan-Chao DuA crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S2·2H2O, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536811014607
collection DOAJ
language English
format Article
sources DOAJ
author Ai-Xin Zhu
Jun-Na Liu
Zhen Li
Hong-Can Wang
Yuan-Chao Du
spellingShingle Ai-Xin Zhu
Jun-Na Liu
Zhen Li
Hong-Can Wang
Yuan-Chao Du
Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate
Acta Crystallographica Section E
author_facet Ai-Xin Zhu
Jun-Na Liu
Zhen Li
Hong-Can Wang
Yuan-Chao Du
author_sort Ai-Xin Zhu
title 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_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_sort bis(5-phenyl-1h-1,2,4-triazol-3-yl) disulfide dihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-05-01
description A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S2·2H2O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811014607
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AT junnaliu bis5phenyl1h124triazol3yldisulfidedihydrate
AT zhenli bis5phenyl1h124triazol3yldisulfidedihydrate
AT hongcanwang bis5phenyl1h124triazol3yldisulfidedihydrate
AT yuanchaodu bis5phenyl1h124triazol3yldisulfidedihydrate
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