Divalent complexes of 3-hydroxy-4-methyl-2(3H)-thiazolethione with Co-Zn: synthesis, X-ray crystal structures and the structure-directing influence of C-H...S interactions

摘要

Divalent complexes of the cyclic thiohydroxamic acid 3-hydroxy-4-methyl-2(3H)-thiazolethione with first-row d-block elements Co-Zn have been synthesised and the crystal structures of the Zn and Ni complexes have been determined by single-crystal X-ray diffraction. Single crystals suitable for X-ray analysis could not be obtained for the Cu or Co complexes, but their structures have been elucidated from laboratory powder X-ray diffraction data using a molecular-modelling approach. Directional intermolecular interactions in the complexes are weak in nature, comprising C-H...O and C-H...#pi# contacts. Close C-H...S contacts also exist, but a general CSD survey shows that these interactions do not display any structure-directing properties which might facilitate their use in crystal engineering strategies.