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

Tuncer Hökelek,Hacali Necefoğlu,Barış Tercan,F Elif Özbek,Hakan Dal

doi:10.1107/s1600536809011209

Abstract

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.

Highlights

The title NiII complex, [Ni(C7H4ClO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Ni atom located on an inversion centre
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
29.48 (16), while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)

Summary

Structure Reports

Özbekd and Hacali Necefoğlud a Hacettepe University, Department of Physics, 06800 Beytepe, Ankara, Turkey, Anadolu University, Faculty of Science, Department of Chemistry, 26470. Yenibağlar, Eskişehir, Turkey, cKarabük University, Department of Physics, 78050, Karabük, Turkey, and dKafkas University, Department of Chemistry, 63100 Kars, Turkey. R factor = 0.040; wR factor = 0.107; data-to-parameter ratio = 16.3. 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 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). – Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.952 (1) Å]

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