Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


metal-organic compounds



xu5682 scheme

Acta Cryst. (2013). E69, m191-m192    [ doi:10.1107/S1600536813006168 ]

Diaquabis(2-hydroxybenzoato-[kappa]O1)bis(nicotinamide-[kappa]N1)cadmium-diaquabis(2-hydroxybenzoato-[kappa]2O1,O1')(nicotinamide-[kappa]N)cadmium-water (1/2/4)

N. Çaylak Delibas, H. Necefoglu and T. Hökelek

Abstract: The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of CdII complexes (A and B) and lattice water molecules. In complex A, [Cd(C7H5O3)2(C6H6NO)2(H2O)2], the CdII cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water molecules in a slightly distorted octahedral geometry. In complex B, [Cd(C7H5O3)2(C6H6NO)(H2O)2], the CdII cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water molecules in an irregular seven-coordinate geometry. There are extensive intramolecular O-H...O and weak C-H...O hydrogen bonds as well as extensive intermolecular O-H...O and N-H...O hydrogen bonding in the crystal structure. [pi]-[pi] stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid-centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N-H...[pi] interaction also occurs. One of the lattice water molecules is disordered over two positions with an occupancy ratio of 0.70:0.30.


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