Trans-Tetra-aqua-bis-(isonicotinamide-?N (1))zinc bis-(3-hy-droxy-benzoate) tetra-hydrate.

ABSTRACT: The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinating water mol-ecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn-O = 2.089?(2) and 2.128?(2)?Å] form a slightly distorted square-planar arrangement and the distorted octa-hedral geometry is completed by the two N atoms [Zn-N = 2.117?(2)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate 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 ?-? 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 mol-ecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.

SUBMITTER: Zaman IG 

PROVIDER: S-EPMC3629480 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature