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

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

SUBMITTER: Wang XG

PROVIDER: S-EPMC3414318 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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

Wang Xiu-Guang XG Li Jian-Hui JH Ding Bin B Du Gui-Xiang GX

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

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

PMID: 22904851

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