Abstract
A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S2·2H2O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. In the molecule, 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 intermolecular N—H⋯O and O—H⋯N hydrogen bonds with the water molecules, forming a three-dimensional supramolecular network.
Highlights
A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S22H2O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit
The triazole rings are twisted by a dihedral angle of 37.67 (6) from the disulfide linkage
Symmetry codes: (ii) −x+1/2, y+1/2, −z+1/2; (iii) x, −y+1, z+1/2
Summary
Refinement a Faculty of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650092, People’s Republic of China, and bSchool of Chemical Engineering, Henan University of Science and Technology, Luoyang 471003, People’s Republic of. R factor = 0.042; wR factor = 0.120; data-to-parameter ratio = 16.6. A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S22H2O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. 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. H N hydrogen bonds with the water molecules, forming a three-dimensional supramolecular network
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