title: Bis(μ-4-methyl-benzoato-κO:O')bis-[aqua-(4-methyl-benzoato-κO,O')zinc(II)]-bis-(μ-4-methyl-benzoato-κO:O')bis-[(4-methyl-benzoato-κO)(nicotinamide-κN)zinc(II)]-water (1/1/2).
abstract: The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water mol-ecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methyl-benzoate (PMB) anion and coordinated by a water mol-ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra-hedral geometry. Weak intra-mol-ecular 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%.
authors.forename: Tuncer
authors.initials: T
authors.lastname: Hökelek
authors.forename: Emel
authors.initials: E
authors.lastname: Ermiş
authors.forename: Barış
authors.initials: B
authors.lastname: Tercan
authors.forename: Efdal
authors.initials: E
authors.lastname: Cimen
authors.forename: Hacali
authors.initials: H
authors.lastname: Necefoğlu