Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


metal-organic compounds



xu5683 scheme

Acta Cryst. (2013). E69, m198-m199    [ doi:10.1107/S1600536813006466 ]

trans-Tetraaquabis(isonicotinamide-[kappa]N1)zinc bis(3-hydroxybenzoate) tetrahydrate

I.G. Zaman, N. Çaylak Delibas, H. Necefoglu and T. Hökelek

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 [pi]-[pi] 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.


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