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