Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate.

ABSTRACT: A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C(16)H(12)N(6)S(2)·2H(2)O, results in one-half of the mol-ecule and one uncoordinated water mol-ecule described in the asymmetric unit. In the mol-ecule, the mean planes of the benzene and triazole rings are close to being coplanar and are separated by a dihedral angle of 2.08 (15)°. The triazole rings are twisted by a dihedral angle of 37.67 (6)° from the disulfide linkage. The crystal packing is stabilized by inter-molecular N-H⋯O and O-H⋯N hydrogen bonds with the water mol-ecules, forming a three-dimensional supra-molecular network.

SUBMITTER: Zhu AX 

PROVIDER: S-EPMC3089328 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature