1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate

The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol­ecule being completed by inversion symmetry, and one water mol­ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water mol­ecules form O...

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Detalles Bibliográficos
Autores principales: Wang, Xiu-Guang, Li, Jian-Hui, Ding, Bin, Du, Gui-Xiang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414318/
https://www.ncbi.nlm.nih.gov/pubmed/22904851
http://dx.doi.org/10.1107/S1600536812029273
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author Wang, Xiu-Guang
Li, Jian-Hui
Ding, Bin
Du, Gui-Xiang
author_facet Wang, Xiu-Guang
Li, Jian-Hui
Ding, Bin
Du, Gui-Xiang
author_sort Wang, Xiu-Guang
collection PubMed
description The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol­ecule being completed by inversion symmetry, and one water mol­ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water mol­ecules form O—H⋯N hydrogen bonds with N-atom acceptors of the triazole rings. C—H⋯N hydrogen bonds are also observed, giving a three-dimensional framework.
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spelling pubmed-34143182012-08-17 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate Wang, Xiu-Guang Li, Jian-Hui Ding, Bin Du, Gui-Xiang Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol­ecule being completed by inversion symmetry, and one water mol­ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water mol­ecules form O—H⋯N hydrogen bonds with N-atom acceptors of the triazole rings. C—H⋯N hydrogen bonds are also observed, giving a three-dimensional framework. International Union of Crystallography 2012-07-10 /pmc/articles/PMC3414318/ /pubmed/22904851 http://dx.doi.org/10.1107/S1600536812029273 Text en © Wang et al. 2012 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
Wang, Xiu-Guang
Li, Jian-Hui
Ding, Bin
Du, Gui-Xiang
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title_full 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title_fullStr 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title_full_unstemmed 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title_short 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
title_sort 1,4-bis(4h-1,2,4-triazol-4-yl)benzene dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414318/
https://www.ncbi.nlm.nih.gov/pubmed/22904851
http://dx.doi.org/10.1107/S1600536812029273
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