Bis(5-phenyl-1H-1,2,4-triazol-3-yl) disulfide dihydrate
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...
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2011
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089328/ |
| Summary: | 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. |
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