| Summary: | The title compound, 4-(4-chlorophenyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione (<b>1</b>), was synthesized by a hetero-cyclization reaction of 4-chlorophenyl isothiocyanate and formic hydrazide. Compound <b>1</b> was characterized by a single-crystal X-ray structure determination as well as <sup>1</sup>H and <sup>13</sup>C{<sup>1</sup>H} NMR, IR, and UV spectroscopy, and microelemental analysis. X-ray crystallography on <b>1</b> confirms the molecule exists as the thione tautomer and shows the five-membered ring to be planar and to form a dihedral angle of 82.70(5)° with the appended chlorophenyl ring, indicating an almost orthogonal relationship. In the molecular packing, supramolecular dimers are formed via thioamide-N–H⋯S(thione) hydrogen bonds and these are connected by C=S⋯<i>π</i>(triazolyl) and C-Cl⋯<i>π</i>(triazolyl) interactions, leading to a three-dimensional architecture.
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