Crystal structure and Hirshfeld surface analysis of hexakis(μ-benzoato-κ2O:O′)bis(pyridine-3-carbonitrile-κN1)trizinc(II)

Abstract

The asymmetric unit of the title complex, [Zn3(C7H5O2)6(C6H4N2)2], contains one half of the complex molecule, i.e. one and a half ZnII cations, three benzoate (Bnz) and one pyridine-3-carbonitrile (Cpy) molecule; the Bnz anions act as bidentate ligands through the carboxylate O atoms, while the Cpy ligand acts as a monodentate N(pyridine)-bonding ligand. The complete centrosymmetric trinuclear complex thus comprises a linear array of three ZnII cations. The central ZnII cation shows an octahedral coordination and is bridged to each of the terminal ZnII cations by three Bnz anions. By additional coordination of the CPy ligand, the terminal ZnII cations adopt a trigonal–pyramidal coordination environment. In the crystal, the Bnz anions link to the Cpy N atoms via weak C—H...N hydrogen bonds, forming a two-dimensional network. C—H...π and π–π interactions [between the benzene and pyridine rings of adjacent molecules with an intercentroid distance of 3.850 (4) Å] help to consolidate a three-dimensional architecture. The Hirshfeld surface analysis confirms the role of H-atom contacts in establishing the packing.

Keywords

• crystal structure
• zinc(II)
• transition metal complexes of benzoic acid derivatives