Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-kappa N-1)bis(2,4,6-trimethylbenzoato-kappa O)zinc


HÖKELEK T. , ASKIN G. S. , Ozkaya S., Necefoglu H.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.73, ss.1348-1357, 2017 (ESCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 73
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1107/s2056989017011690
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Sayfa Sayıları: ss.1348-1357

Özet

The asymmetric unit of the title complex, [Zn(C10H11O2)(2)(C6H6N2O)(2)(H2O)], contains one half of the complex molecule, and the Zn-II cation and the water O atom lie on a twofold rotation axis. The Zn-II cation is coordinated by two carboxylate O atoms of the two symmetry-related 2,4,6-trimethylbenzoate (TMB) anions and by the water O atom at distances of 2.0311 (16) and 2.076 (2) angstrom to form a slightly distorted trigonal-planar arrangement, while the distorted trigonal-bipyramidal coordination sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.2066 (19) angstrom in the axial positions. In the crystal, molecules are linked via intermolecular N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds with R-2(2)(12), R-3(3)(10) and R-3(3)(16) ring motifs, forming a double-column structure running along the c-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H center dot center dot center dot H (58.4%), H center dot center dot center dot C/C center dot center dot center dot H (20.3%) and H center dot center dot center dot O/O center dot center dot center dot H (18.3%) interactions.