SYNTHESIS, CRYSTAL STRUCTURES, HYDROGEN BONDING GRAPH-SETS AND THEORETICAL STUDIES OF NICKEL ( plus II) CO-ORDINATIONS WITH PYRIDINE-2,6-DICARBOXAMIDE OXIME

Abstract

The pyridine-2,6-dicarboxamide oxime, C7H9N5O2, was Synthesis and characterises with H-1 NMR and FTIR spectroscopy. The reaction of this ligand with nickel (II) perchlorate yielded green crystals of formula [Ni(C7H9N5O2)(2)](2+),2[ClO4](-), which crystallized in the monoclinic space group C2/c with a = 14.915(2), b = 0.895(2), c = 8.205(1) angstrom, beta = 114.69(1), and Z = 4. The complex consists of discrete cations (+II) and one perchlorate anion, the cations existing in a slightly distorted octahedral complex with bonding through the heterocyclic and oxime nitrogen atoms. The structure is held together through N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds occurring between the coordinated oxime molecules and the perchlorate counter-ion. Computational investigations of nickel(II) complex are done by using M062X method with 6-31+G(d)(LANL2DZ) basis set in vacuo.