Luck Rudy L, Olds Travis A, Zeller Matthias
Department of Chemistry, Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49930, USA.
Acta Crystallogr C. 2013 Oct;69(Pt 10):1116-9. doi: 10.1107/S0108270113023524. Epub 2013 Sep 6.
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.
标题化合物[Zn2(C16H14N2S2)2]2·0.18C2H6OS·0.82CH3OH的晶体结构中的不对称单元由两个有序的双{μ-2,2'-[(丁烷-2,3-二亚基)双(氮亚基)]二苯硫醇根}二锌(II)分子以及位于同一位置的无序溶剂组合组成，该组合经精修后为18.1 (7)%的二甲亚砜和81.9 (7)%的甲醇。该化合物具有由两个锌(II)配合物分子连接在一起形成的金属簇结构，形成菱形的Zn2S2排列。此前基于非结构证据认为该配合物是单体[Jadamus, Fernando & Freiser (1964). J. Am. Chem. Soc. 86, 3056 - 3059]。每个Zn(II)原子为五配位，呈现扭曲的三角双锥几何构型。该结构在硫醇锌键、席夫碱的配位化学以及蛋白质折叠方面可能具有研究意义。该结构显示出弱的分子间C-H···S、C-H···O和C-H···N相互作用，并且在Zn2S2菱形周围的配体具有独特的键合排列。
