Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate.

ABSTRACT: A new zinc coordination polymer with 5-phenyl-1,3,4-oxa-diazole-2-thiol-ate, namely, catena-poly[zinc(II)-bis-(μ₂-5-phenyl-1,3,4-oxa-diazole-2-thiol-ato)-κ² N ³:S;κ² S:N ³], [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 Zn^II 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 Zn^II atoms and two ligand mol-ecules. 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. Inter-actions 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.

SUBMITTER: Pirimova M 

PROVIDER: S-EPMC9361377 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature