Collect. Czech. Chem. Commun. 1984, 49, 2210-2221

The crystal and molecular structure of the copper(II) bis(dialyldithiocarbamate) complex

Eleonóra Kellöa, Victor Kettmannb and Ján Garaja

a Department of Analytical Chemistry, Slovak Institute of Technology 812 37 Bratislava
b Department of Analytical Chemistry, Pharmaceutical Faculty, Comenius University, 831 04 Bratislava


The crystal structure of {Cu[S2CN(C3H5)2]2}2 was solved by the single crystal method of X-ray structural analysis. The substance crystallized as a dimer in the triclinic system with space group of PI and latice parameters a = 1.0161 (4), b =0.9294(4), c = 1.0518(3) nm, α = 77.46(3), β = 77.10(3), γ = 89.02(3)°. The structure was refined by the least squares method to a final value of R = 4.9% using all the 1 713 observed reflections. The crystal structure consists of dimeric molecules, where each pair of centrosymmetrically dependent Cu atoms lies at a distance of 0.3742 nm. The coordination polyhedron of the Cu atom is a tetragonal pyramid, where the four sulphur atoms lie at distances of Cu-S1 0.2314, Cu-S2 0.2309, Cu-S3 0.2324, Cu-S4 0.2328 and are approximately in a place from which the Cu atoms lies at a distance of 0.026 nm. The fifth, longer bond, Cu-S'4 0.2888 nm forms the apex of the tetragonal pyramid. In the streochemistry of the dithiocarbamate ligands of the studied substances there are no marked differences in the bond lengths and corresponding angles compared with the values for the solvent structures of the other dialkyl-dtc complexes. The lengths of the sulphur-carbon bonds lie in the range from 0.170 to 0.173 nm and both lengths of the C(sp)2 - N(sp2) bonds equal to 0.134 and 0.133 nm indicate marked double bond character of the C-N bond. The S2CN ligand fragment is planar. In the alyl part of the ligand, the N-C bond lengths lie in the range 0.147-0.149 nm, the average C-C bond length is 0.149 nm and C=C bond length is 0.132 nm.