RESUMO
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 2.08â (15)°. The triazole rings are twisted by a dihedral angle of 37.67â (6)° from the disulfide linkage. The crystal packing is stabilized by inter-molecular N-Hâ¯O and O-Hâ¯N hydrogen bonds with the water mol-ecules, forming a three-dimensional supra-molecular network.
RESUMO
In the title compound, C(12)H(12)N(6)·4H(2)O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group. The benzene and triazole rings are almost coplanar with a dihedral angle of 5.5â (1)°. In the crystal, water mol-ecules are joined together by OW-Hâ¯OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic mol-ecule, forming a three-dimensional network by inter-molecular OW-Hâ¯N and N-Hâ¯OW hydrogen bonds. Moreover, π-π stacking inter-actions between triazole rings [centroid-centroid distances = 3.667â (1)-3.731â (1)â Å] are observed. One of the water mol-ecules shows one of the H atoms to be disordered over two positions.