Diaquabis(4-methoxybenzoato-κO)bis(nicotinamide-κN1)nickel(II) dihydrate

Tuncer Hökelek,Barış Tercan,Erdinç Tenlik,Hacali Necefoğlu,Hakan Dal

doi:10.1107/s1600536810025985

Abstract

In the mononuclear title compound, [Ni(C8H7O3)2(C6H6N2O)2(H2O)2]·2H2O, the NiII ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-methoxybenzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water molecule; all ligands are monodentate. The four O atoms in the equatorial plane around the NiII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 7.2 (1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)°. An intramolecular O—H⋯O hydrogen bond links the uncoordinated water molecule to one of the carboxylate groups. In the crystal structure, intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.

Highlights

In the mononuclear title compound, [Ni(C8H7O3)2(C6H6N2O)2(H2O)2]Á2H2O, the NiII ion is located on a crystallographic inversion center
The four O atoms in the equatorial plane around the NiII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions
The dihedral angle between the carboxylate group and the attached benzene ring is 7.2 (1), while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4)

Summary

Structure Reports Online

The asymmetric unit further contains one 4-methoxybenzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water molecule; all ligands are monodentate. The four O atoms in the equatorial plane around the NiII ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 7.2 (1), while the pyridine and benzene rings are oriented at a dihedral angle of 72.80 (4). An intramolecular O—HÁ Á ÁO hydrogen bond links the uncoordinated water molecule to one of the carboxylate groups. Intermolecular O—HÁ Á ÁO, N—HÁ Á ÁO and C—HÁ Á ÁO hydrogen bonds link the molecules into a three-dimensional network.

Data collection

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