1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.

Acta Crystallogr Sect E Struct Rep Online

Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

Published: May 2009

The asymmetric unit of the title compound, C(8)H(6)N(8)·2H(2)O, contains one half-mol-ecule, with the benzene ring on a centre of symmetry, and two uncoordinated water mol-ecules. The benzene ring is oriented at a dihedral angle of 34.43 (12)° with respect to the tetra-zole ring. Strong O-H⋯N hydrogen bonds link the water mol-ecules to the N atoms of the tetra-zole ring. In the crystal structure, strong inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969647PMC
http://dx.doi.org/10.1107/S1600536809018224DOI Listing

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