Crystal structure of cis-copper(II) complex with N-(di-n-propylcarbamothioyl)cyclohexanecarboxamide ligand

Copper(II) complex, cis -[Cu(L-κ 2 S,O) 2 ] of N -(di- n -propylcarbamothioyl)cyclohexane carboxamide ligands (HL) has been synthesized and structurally characterized by various spectroscopic techniques and single crystal X-ray diffraction crystallography. The cis -[Cu(L-κ 2 S,O) 2 ], C 28 H 50 CuN 4 O 2 S 2 : Monoclinic, space group P2 1 /n (no. 14), a = 10.025(2) A, b = 21.724(4) A, c = 14.848(3) A, β = 100.60(3)°, Z  = 4, D calc  = 1.259 g/cm 3 , 22069 reflections measured (5.88° ≤ 2Θ ≤ 50.2°), 5639 unique ( R int = 0.0630, R sigma = 0.0678) which were used in all calculations. The final R 1 was 0.0488 (≥2σ(I)) and wR 2 was 0.1277 (all data). Single crystal analysis revealed that a square-planar coordination geometry is formed around the copper atom by two sulphur and two oxygen atoms of the related ligand, which are in a cis configuration.