Mercury(II) halide complexes with N,-N-dimethyl O-ethylthiocarbamate. The crystal structure of Hg(DMTC)Cl 2

Abstract

The crystal structure of the title compound has been determined by X-ray crystallography using diffractometer data. The material crystallizes in the monoclinic space group P2 1/a with four molecules in a cell of dimensions a = 10.73(1), b = 13.41(1), c = 7.71(1) Å, and β = 96.90(5)°. Refinement of the structure has led to a final value of the conventional R factor of 0.099. The crystals decompose under irradiation. The mercury(II) atom is trigonally bonded to two chlorine atoms (HgCl bond distances of 2.47 and 2.38 Å) and to the sulfur atom from the ligand (DMTC = (CH 3) 2N-CS-OEt; HgS of 2.47 Å). In addition the metal atom of each DMTC·HgCl 2 unit makes two Hg⋯Cl contacts of 2.94 and 3.13 Å with chlorine atoms of two adjacent units to form an extended structure with mercury in effective five-coordination. The properties of the complexes Hg(DMTC)X 2 (X = Cl, Br, I) in solid and in benzene or acetone solutions have been studied by IR, 1H NMR and osmometric methods.