Date Published: July 01, 2012
Publisher: International Union of Crystallography
Author(s): Mustafa Sertçelik, Nagihan Çaylak Delibaş, Hacali Necefoğlu, Tuncer Hökelek.
In the title complex, [Ni(C8H5O3)2(C6H6N2O)2(H2O)2], the NiII cation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the NiII cation 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 23.67 (8)°, while the pyridine and benzene rings are oriented at an angle of 89.04 (4)°. The coordinating water molecule links with the carboxylate group via an O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π contacts between benzene rings [centroid–centroid distance = 3.8414 (7) Å] may further stabilize the structure. A weak C—H⋯π interaction also occurs.
For background to niacin, see: Krishnamachari (1974 ▶). For information on the nicotinic acid derivative N,N-diethylnicotinamide, see: Bigoli et al. (1972 ▶). For related structures, see: Aydın et al. (2012 ▶); Hökelek et al. (1996 ▶, 2009a ▶,b ▶); Hökelek & Necefoğlu (1998 ▶, 2007) ▶; Necefoğlu et al. (2011a ▶,b ▶). For bond-length data, see: Allen et al. (1987 ▶).