Crystal structure and Hirshfeld surface analysis of di­aqua­bis­(isonicotinamide-κN)bis­(2,4,6-tri­methyl­benzoato-κO1)nickel(II) dihydrate

Acta Crystallographica Section E: Crystallographic Communications

Özkaya, S.¹  Necefo?lu, H.²  Hökelek, T.³  Sertkaya, G.³  Ay, E.³ 

[1] Department of Chemistry, Kafkas University, 36100 Kars, Turkey;Department of Chemistry, Kafkas University, 36100 Kars, Turkey, International Scientific Research Centre, Baku State University, 1148 Baku, Azerbaijan;Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey

关键词: CRYSTAL STRUCTURE;    NICKEL(II);    COORDINATION COMPOUND;    BENZOIC ACID;    NICOTINAMIDE;   

DOI  :  10.1107/S205698901701060X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title NiII complex, [Ni(C10H11O2)2(C6H6N2O)2(H2O)2]·2H2O, the divalent Ni ion occupies a crystallographically imposed centre of symmetry and is coordinated by two O atoms from the carboxyl­ate groups of two 2,4,6-tri­methyl­benzoate (TMB) ligands [Ni—O = 2.0438 (12) Å], two N atoms from the pyridyl groups of two isonicotinamide (INA) ligands [Ni—N = 2.1506 (15) Å] and two water mol­ecules [Ni—O = 2.0438 (12) Å] in a slightly distorted octa­hedral geometry. The coordinating water mol­ecules are hydrogen bonded to the non-coordinating carboxyl­ate O atom of the TMB ligand [O⋯O = 2.593 (3) Å], 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⋯O and O—H⋯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⋯H (59.8%), O⋯H/H⋯O (20.2%) and C⋯H/H⋯C (13.7%) inter­actions.

【 授权许可】

CC BY