Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate

Abstract

A new zinc coordination polymer with 5-phenyl-1,3,4-oxadiazole-2-thiolate, namely, catena-poly[zinc(II)-bis(μ2-5-phenyl-1,3,4-oxadiazole-2-thiolato)-κ2N3:S;κ2S:N3], [Zn(C8H5N2OS)2]n, was synthesized. The single-crystal X-ray diffraction analysis shows that the polymeric structure crystallizes in the centrosymmetric monoclinic C2/c space group. The ZnII atom is coordinated to two S and two N atoms from four crystallographically independent (L) ligands, forming zigzag chains along the [001] direction. This polymer complex forms an eight-membered [Zn–S–C–N–Zn–S–C–N] chair-like ring with two ZnII atoms and two ligand molecules. On the Hirshfeld surface, the largest contributions come from the short contacts such as van der Waals forces, including H...H, C...H and S...H. Interactions including N...H, O...H and C...C contacts were also observed; however, their contribution to the overall stability of the crystal lattice is minor.

Keywords

• crystal structure
• zinc complex
• 5-phenyl-1,3,4-oxadiazole-2-thiol
• coordination polymer
• hirshfeld surface analysis