Preparation, properties, and crystal structure of dichlorobis-(O-ethyl thiocarbamate)mercury(II)

Abstract

The preparation, spectroscopic properties, and X-ray structure of the title compound have been determined. Crystals are monoclinic, space group P2₁/n, with unit cell dimensions: a= 10·994(12), b= 12·437(5), c= 10·568(6)Å, β= 101·59(7)° and Z= 4. The structure was solved by the heavy-atom method from 1624 reflections collected by counter, and refined by least-squares methods to R 0·045. It consists of monomeric molecules, with the mercury atom in a distorted tetrahedral configuration, associated in the crystal by a three-dimensional hydrogen-bond network. Some dimensions are: Hg–Cl 2·58(1) and 2·62(1), Hg–S 2·43(1) and 2·45(1)Å; Cl–Hg–Cl 96·2, S–Hg–S 129·9, and Cl–Hg–S 103·2 and 112·4°. The two thiocarbamate ligands are virtually planar, the angle between the normals to their planes being 46·2°.