Crystal structure of tri­aqua­(4-cyano­benzoato-κ2O,O′)(nicotinamide-κN1)zinc 4-cyano­benzoate

Acta Crystallographica Section E: Crystallographic Communications

kı¹  .¹  Aş²  n, G. ޳  Necefoğ⁴ 

[1] Department of Chemistry, Kafkas University, 36100 Kars, Turkey;Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey;International Scientific Research Centre, Baku State University, 1148 Baku, Azerbaijan;Scientific and Technological Application and Research Center, Aksaray University, 68100, Aksaray, Turkey

关键词: CRYSTAL STRUCTURE;    ZINC;    TRANSITION METAL COMPLEXES;    BENZOIC ACID NICOTINAMIDE;   

DOI  :  10.1107/S2056989015009743

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title salt, [Zn(C8H4NO2)(C6H6N2O)(H2O)3](C8H4NO2), contains one complex cation and one 4-cyano­benzoate (CNB) counter-anion. The ZnII atom in the cation is coordinated by one 4-cyano­benzoate ligand, one nicotinamide (NA) ligand and three water mol­ecules, the CNB anion thereby coordinating in a bidentate O,O′-mode through the carboxyl­ate group. The latter, together with one water O atom and the N atom of the NA ligand, form a distorted square-planar arrangement, while the considerably distorted octa­hedral coordination sphere of the ZnII atom is completed by the two O atoms of additional water mol­ecules in the axial positions. The dihedral angles between the planar carboxyl­ate groups and the adjacent benzene rings in the two anions are 10.25 (10) and 5.89 (14)°. Inter­molecular O—H⋯O hydrogen bonds link two of the coordinating water mol­ecules to two free CNB anions. In the crystal, further hydrogen-bonding inter­actions are present, namely N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds that link the mol­ecular components, enclosing R22(12), R33(8) and R33(9) ring motifs and forming layers parallel to (001). π–π contacts between benzene rings [centroid-to-centroid distances = 3.791 (1) and 3.882 (1) Å] may further stabilize the crystal structure.

【 授权许可】

CC BY