Crystal and Molecular Structures of Mononuclear Coordinated Copper(I) Complexes with Thio‐triazole and Thio‐triazine based Schiff base Ligands

Abstract

Reaction of 4‐amino‐5‐methyl‐1,2,4‐triazol‐3(2H)‐thione (AMTT) and 4‐amino‐6‐methyl‐3‐thio‐3,4‐dihydro‐1,2,4‐triazin‐5(2H)‐one (AMTTO) with 2‐hydroxybenzaldehyde led to the synthesis of corresponding Schiff base ligands [(Z)‐4‐((2‐hydroxybenzylidene)amino)‐3‐methyl‐1H‐1,2,4‐triazole‐5(4H)‐thione (L1) and (Z)‐4‐((2‐hydroxybenzylidene)amino)‐6‐methyl‐3‐thioxo‐3,4‐dihydro‐1,2,4‐triazin‐5(2H)‐one (L2)]. Treatment of synthesized Schiff base ligands with CuCl provided the complexes [Cu(L1)3Cl] (1) and [Cu(L2)2Cl] (2). Synthesized complexes were characterized by elemental analyses, IR spectroscopy and X‐ray diffraction studies. Complex 1 consists of a metal ion coordinated with one chloride ion and three Schiff base ligands via sulfur atoms in a distorted tetrahedral environment, whereas 2 consists of a metal ion coordinated with one chloride ion and two sulfur atoms from two different Schiff base ligands in a trigonal planar arrangement. Crystal data for 1 at –153 °C revealed an orthorhombic space group Fdd2, a = 34.8088(7), b = 33.8156(8), c = 11.6142(2) Å, Z = 16, R1 = 0.0357; for 2 at –178 °C the symmetry was triclinic, space group P1, a = 7.27520(10), b = 15.4620(2), c = 23.7985(4) Å, α = 72.1964(13), β = 86.5208(12), γ = 89.8597(11)°, Z = 4, R1 = 0.0359.