Crystal structure and Hirshfeld surface analysis of hexakis(mu-benzoato-kappa O-2: O ')bis(pyridine-3-carbo-nitrile-kappa N-1)trizinc(II)


HÖKELEK T. , Ozbek E., Sertcelik M., Yenice C. S. , Necefoglu H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.73, ss.1966-1977, 2017 (ESCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 73
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1107/s2056989017016899
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.1966-1977

Özet

The asymmetric unit of the title complex, [Zn-3(C7H5O2)(6)(C6H4N2)(2)], contains one half of the complex molecule, i.e. one and a half Zn-II 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 Zn (II) cation shows an octahedral coordination and is bridged to each of the terminal Zn II cations by three Bnz anions. By additional coordination of the CPy ligand, the terminal Zn II cations adopt a trigonal-pyramidal coordination environment. In the crystal, the Bnz anions link to the Cpy N atoms via weak C-H center dot center dot center dot N hydrogen bonds, forming a two-dimensional network. C-H center dot center dot center dot pi and pi-pi interactions between the benzene and pyridine rings of adjacent molecules with an intercentroid distance of 3.850 (4) angstrom] help to consolidate a threedimensional architecture. The Hirshfeld surface analysis confirms the role of Hatom contacts in establishing the packing.