Crystal Structure and Hirshfeld surface analysis of diaquabis(isonicotinamide-kN)bis(2,4,6-trimethyl-benzoato kO(1))nickel(11) dihydrate


HÖKELEK T., SERTKAYA G., AY E., Ozkaya S., Necefoglu H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.73, pp.1237-1247, 2017 (Peer-Reviewed Journal) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 73
  • Publication Date: 2017
  • Doi Number: 10.1107/s205698901701060x
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Journal Indexes: Emerging Sources Citation Index, Scopus
  • Page Numbers: pp.1237-1247

Abstract

In the title Ni-II complex, [Ni(C10H11O2)(2)(C6H6N2O)(2)(H2O)2].2H(2)O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxylate groups of two 2,4,6trimethylbenzoate (TMB) ligands [Ni-O = 2.0438 (12) angstrom], two N atoms from the pyridyl groups of two isonicotinamide (INA) ligands [Ni-N = 2.1506 (15) angstrom] and two water molecules [Ni-O = 2.0438 (12) angstrom] in a slightly distorted octahedral geometry. The coordinating water molecules are hydrogen bonded to the non-coordinating carboxylate 0 atom of the TMB ligand [O center dot center dot center dot O) = 2.593 (3) angstrom], enclosing an S(6) hydrogen -bonding motif. Two solvent water molecules are also present in the formula unit. In the crystal, a network of intermolecular N-H center dot center dot center dot-O and O-H center dot center dot center dot-O hydrogen bonds link the complexes into a three-dimensional array. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H center dot center dot center dot H (59.8%), O center dot center dot center dot H/H center dot center dot center dot O (20.2%) and C center dot center dot center dot H/H center dot center dot center dot C (13.7%) interactions.