Diaquabis(2-chlorobenzoato-κO)bis(nicotinamide-κN1)nickel(II)

• Main Authors: Tuncer Hökelek, Hakan Dal, Barış Tercan, F. Elif Özbek, Hacali Necefoğlu
• Format: Article
• Language: English
• Published: International Union of Crystallography 2009-04-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536809011209

The title NiII complex, [Ni(C7H4ClO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion centre. The molecule contains two 2-chlorobenzoate (CB) and two nicotinamide (NA) ligands and two 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 carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O—H...O and N—H...O hydrogen bonds link the molecules into infinite chains. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C—H...π interaction.