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N-(R-carbamothioyl)cyclohexanecarboxamides (R: diethyl, di-n-propyl, di-n-butyl, diphenyl and morpholine-4) and their Ni(II) and Cu(II) complexes have been synthesized and characterized by elemental analyses, FT-IR and NMR methods. N-(diethylcarbamothioyl) cyclohexanecarboxamide, HL 1 , C 12 H 22 N 2 OS, crystallizes in the orthorhombic space group P2 1 2 1 2 1 , with Z ¼ 4, and unit cell parameters, a ¼ 6.6925(13) Å , b ¼ 9.0457(18) Å , c ¼ 22.728(5) Å . The conformation of the HL 1 molecule with respect to the thiocarbonyl and carbonyl moieties is twisted, as reflected by the torsion angles O1-C6-N2-C5, C6-N2-C5-N1 and S1-C5-N2-C6 of 1.68 , À67.47 and 115.50 , respectively. The structure of HL 1 also shows a delocalization of the electrons of the thiocarbonyl group over the C-N bonds. The ring puckering analysis shows that the cyclohexane ring has a chair conformation. The bis(N-(morpholine-4-carbonothioyl)cyclohexane carboxamido)nickel(II) complex, Ni(L 5 ) 2 , C 24 H 38 N 4 NiO 4 S 2 , crystallizes in the monoclinic space group P2 1 /c, with Z ¼ 4, and unit cell parameters, a ¼ 16.919(3) Å , b ¼ 8.3659(17) Å , c ¼ 19.654(4) Å , ¼ 107.43(3) . Ni(L 5 ) 2 is a cis-complex with a slightly distorted square-planar coordination of the central nickel by two oxygen and two sulfur atoms.

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New benzoyl thiourea derivatives and their nickel and copper complexes were synthesized. The structure of the synthesized compounds were confirmed by elemental analysis, FT-IR, and1H NMR techniques. Four of the synthesized compounds are analyzed by X-ray single crystal diffraction technique. WhereasN,N-dimethyl-N′-(4-fluorobenzoyl)thiourea,N,N-diethyl-N′-(4-fluorobenzoyl)thiourea, andN,N-di-n-butyl-N′-(4-fluorobenzoyl) thiourea crystallize in the monoclinic system,bis(N,N-di-n-propyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex crystallizes in the triclinic system. These ligand molecules form dimers through strong intermolecular hydrogen bonds such as N–H⋯S, C–H⋯O, and N–H⋯O. Moreover, there are different types of intramolecular interactions in the crystal structures.Bis(N,N-dimethyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex has a nearly square-planar coordination. The distance of nickel atom from the best plane through the coordination sphere is 0.029 Å.

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