Diaquabis(4-methylbenzoato-κO)bis(nicotinamide-κN1)nickel(II)

• Main Authors: Hacali Necefoğlu, Efdal Çimen, Barış Tercan, Emel Ermiş, Tuncer Hökelek
• Format: Article
• Language: English
• Published: International Union of Crystallography 2010-04-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536810007385

The title NiII complex, [Ni(C8H7O2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion center. The molecule contains two 4-methylbenzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H...π interaction involving the pyridine ring also occurs.