4-(2-Methoxyphenyl)-5-(thiophen-2-ylmethyl)-2,4-Dihydro-1H-1,2,4-Triazole-3-Thione and Its Complex with Cadmium Chloride: Molecular and Crystal Structures

Compound 4-(2-methoxyphenyl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,2,4-triazole-3-thione (LH) and its complex with cadmium(II) C42.12H39.50N9O3.12S6Cl2Cd (I) are synthesized. Their molecular and crystal structures are determined by X-ray diffraction analysis (CIF files CCDC nos. 1835776 (LH) and 1547251 (I)). Free ligand LH is thione and in the crystal forms H-bonded centrosymmetric dimers by two hydrogen bonds N-H center dot center dot center dot S. Complex I has a distorted trigonal bipyramidal structure: the sulfur atoms lie in the base and the chlorine atoms occupy the axial positions. Compound LH manifests itself as a monodentate ligand (S) when forming complex I and retains the thione form. The molecule of complex I is stabilized due to strong intramolecular contacts N-H center dot center dot center dot Cl. The crystal packing of compounds LH and I is formed due to the intermolecular contacts C-H center dot center dot center dot pi, H center dot center dot center dot S, H center dot center dot center dot O, and H center dot center dot center dot N.