Crystal structure and Hirshfeld surface analysis of hexa-kis-(?-benzoato-?2O:O')bis-(pyridine-3-carbo-nitrile-?N1)trizinc(II).

ABSTRACT: The asymmetric unit of the title complex, [Zn3(C7H5O2)6(C6H4N2)2], contains one half of the complex mol-ecule, i.e. one and a half ZnII cations, three benzoate (Bnz) and one pyridine-3-carbo-nitrile (Cpy) mol-ecule; the Bnz anions act as bidentate ligands through the carboxyl-ate 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 octa-hedral 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?? and ?-? inter-actions [between the benzene and pyridine rings of adjacent mol-ecules with an inter-centroid 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.

SUBMITTER: Hokelek T 

PROVIDER: S-EPMC5730262 | biostudies-other | 2017 Dec

REPOSITORIES: biostudies-other