Bis(μ-4-methylbenzoato-κ2O:O′)bis[aqua(4-methylbenzoato-κ2O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ2O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2)

• Main Authors: Tuncer Hökelek, Emel Ermiş, Barış Tercan, Efdal Çimen, Hacali Necefoğlu
• Format: Article
• Language: English
• Published: International Union of Crystallography 2010-07-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536810022476

The crystal structure of the title compound, [Zn2(C8H7O2)4(H2O)2]·[Zn2(C8H7O2)4(C6H6N2O)2]·2H2O, consists of two kinds of dinuclear ZnII complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn2(C8H7O2)4(H2O)2], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn2(C8H7O2)4(C6H6N2O)2], each ZnII cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H...O and N—H...O hydrogen bonding and weak C—H...O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.