Diaquabis(2-bromobenzoato-κO)bis(nicotinamide-κN1)zinc(II)

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

doi:10.1107/s1600536809015645

Tuncer Hökelek, Hakan Dal + Show 3 more

Open Access

https://doi.org/10.1107/s1600536809015645

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Abstract

The title ZnII complex, [Zn(C7H4BrO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Zn atom on an inversion center. The molecule contains two 2-bromobenzoate (BB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn 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 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into infinite chains. A weak C—H⋯π interaction is also present.

Highlights

The title ZnII complex, [Zn(C7H4BrO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Zn atom on an inversion center
The four O atoms in the equatorial plane around the Zn 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 31.14 (12), while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 A; R factor = 0.026; wR factor = 0.065; data-to-parameter ratio = 16.8. The title ZnII complex, [Zn(C7H4BrO2)2(C6H6N2O)2(H2O)2], is centrosymmetric with the Zn atom on an inversion center. The molecule contains two 2-bromobenzoate (BB) and two nicotinamide (NA) ligands and two coordinated water molecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn 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. O— HÁ Á ÁO and N—HÁ Á ÁO hydrogen bonds link the molecules into infinite chains.

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