Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)-dimethyl sulfoxide-methanol (2/0.18/0.82)

Acta Crystallogr C. 2013 Oct;69(Pt 10):1116-9. doi: 10.1107/S0108270113023524. Epub 2013 Sep 6.

Abstract

The asymmetric unit in the crystal structure of the title compound, [Zn2(C16H14N2S2)2]2·0.18C2H6OS·0.82CH3OH, consists of two ordered bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II) molecules and a disordered solvent combination at the same location which refined to 18.1 (7)% dimethyl sulfoxide and 81.9 (7)% methanol. The compound has a metallic cluster structure formed by the joining together of two zinc(II) complex molecules, forming a rhomboidal Zn2S2 arrangement. This complex was previously suggested on the basis of nonstructural evidence to be a monomer [Jadamus, Fernando & Freiser (1964). J. Am. Chem. Soc. 86, 3056-3059]. Each Zn(II) atom is five-coordinated and exhibits distorted trigonal bipyramidal geometry. The structure may be of interest with respect to zinc-thiolate bonds, the coordination chemistry of Schiff bases and the folding of proteins. The structure displays weak intermolecular C-H···S, C-H···O and C-H···N interactions, and contains a unique bonding arrangement of the ligands around the Zn2S2 rhomboid.

Keywords: Schiff bases; Zn2S2 rhomboid; crystal structure; protein folding; zinc–thiolate bonds.