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

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

The asymmetric unit of the title compound, C10H8N6·2H2O, 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)&#176...

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Bibliographic Details
Main Authors: Xiu-Guang Wang, Jian-Hui Li, Bin Ding, Gui-Xiang Du
Format: Article
Language:English
Published: International Union of Crystallography 2012-08-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812029273
Description
Summary:The asymmetric unit of the title compound, C10H8N6·2H2O, 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.
ISSN:1600-5368

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