Trans-Tetraaquabis(isonicotinamide-κN1)zinc bis(3-hydroxybenzoate) tetrahydrate

Ibrahim Göker Zaman,Hacali Necefoğlu,Tuncer Hökelek,Nagihan Çaylak Delibaş

doi:10.1107/s1600536813006466

Ibrahim Göker Zaman, Hacali Necefoğlu + Show 2 more

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https://doi.org/10.1107/s1600536813006466

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Abstract

The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the ZnII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. Four water O atoms in the equatorial plane around the ZnII ion [Zn—O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octahedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π–π stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water molecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.

Highlights

The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2Á4H2O, contains half of the complex cation with the ZnII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules
Four water O atoms in the equatorial plane around the ZnII ion [Zn—O = 2.089 (2) and 2.128 (2) A ] form a slightly distorted square-planar arrangement and the distorted octahedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) A ] from two isonicotinamide ligands
The carboxylate group is twisted from the attached benzene ring at 9.0 (2)

Summary

Necefoglua and Tuncer Hokelekc*

The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2Á4H2O, contains half of the complex cation with the ZnII ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. The carboxylate group is twisted from the attached benzene ring at 9.0 (2). A threedimensional hydrogen-bonding network, formed by classical O—HÁ Á ÁO and N—HÁ Á ÁO and weak C—HÁ Á ÁO hydrogen bonds, consolidates the crystal packing, which exhibits – stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) A. One of the two H atoms of each uncoordinating water molecule is disordered over two orientations with an occupancy ratio of 0.60:0.40

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