Crystal structure and spectroscopic properties of mercury(II) halide complexes. Part 3. The di-n-butyl sulphoxide–mercury(II) chloride (1/1) adduct

Abstract

The structure of the title compound was solved from diffractometer data by the heavy-atom method and refined by least-squares techniques to R 0.109 for 1 134 observed reflections. Crystals are monoclinic, space group P2₁/c, with unit-cell dimensions: a= 20.710(10), b= 8.113(3), c= 8.090(4)Å, β= 94.74(5)°, and Z= 4. A distorted tetragonal-pyramidal co-ordination around the mercury atom involves the di-n-butyl sulphoxide molecule at the apex via the oxygen atom at 2.59 Å, two close chlorine atoms at 2.35 and 2.33 Å, and two chlorine atoms from neighbouring molecules at 3.13 and 3.16 Å at the base. The structural parameters of the title compound and of similar adducts have been correlated with their vibrational frequencies.