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

详细

Compound 4-(2-methoxyphenyl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,2,4-triazole-3-thione (LН) and its complex with cadmium(II) C_42.12H_39.50N₉O_3.12S₆Cl₂Cd (I) are synthesized. Their molecular and crystal structures are determined by X-ray diffraction analysis (СIF files CCDC nos. 1835776 (LН) and 1547251 (I)). Free ligand LН is thione and in the crystal forms H-bonded centrosymmetric dimers by two hydrogen bonds N–H···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 LН 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···Cl. The crystal packing of compounds LН and I is formed due to the intermolecular contacts C–H···π, H···S, H···O, and H···N.