Abstract
The asymmetric unit of the title complex, [Zn3(C7H5O2)6(C6H4N2)2], contains one half of the complex mol-ecule, i.e. one and a half ZnII cations, three benzoate (Bnz) and one pyridine-3-carbo-nitrile (Cpy) mol-ecule; the Bnz anions act as bidentate ligands through the carboxyl-ate O atoms, while the Cpy ligand acts as a monodentate N(pyridine)-bonding ligand. The complete centrosymmetric trinuclear complex thus comprises a linear array of three ZnII cations. The central ZnII cation shows an octa-hedral coordination and is bridged to each of the terminal ZnII cations by three Bnz anions. By additional coordination of the CPy ligand, the terminal ZnII cations adopt a trigonal-pyramidal coordination environment. In the crystal, the Bnz anions link to the Cpy N atoms via weak C-H⋯N hydrogen bonds, forming a two-dimensional network. C-H⋯π and π-π inter-actions [between the benzene and pyridine rings of adjacent mol-ecules with an inter-centroid distance of 3.850 (4) Å] help to consolidate a three-dimensional architecture. The Hirshfeld surface analysis confirms the role of H-atom contacts in establishing the packing.
Highlights
The asymmetric unit of the title complex, [Zn3(C7H5O2)6(C6H4N2)2], contains one half of the complex molecule, i.e. one and a half ZnII cations, three benzoate (Bnz) and one pyridine-3-carbonitrile (Cpy) molecule; the Bnz anions act as bidentate ligands through the carboxylate O atoms, while the Cpy ligand acts as a monodentate N(pyridine)-bonding ligand
The Bnz anions link to the Cpy N atoms via weak C—HÁ Á ÁN hydrogen bonds, forming a two-dimensional network
The molecular structure of the title complex (I) is formed by a centrosymmetric array of three ZnII cations, which are coordinated by six benzoate anions and two neutral pyridine3-carbonitrile ligands
Summary
The structure–function–coordination relationships of the arylcarboxylate ion in ZnII complexes of benzoic acid derivatives change depending on the nature and position of the substituent groups on the benzene ring, the nature of the additional ligand molecule or solvent, and the pH and temperature of synthesis (Shnulin et al, 1981). When pyridine and its derivatives are used instead of water molecules, the structure is completely different (Catterick et al, 1974). The structure determination of the title compound, (I), a trinuclear zinc complex with six benzoate anions and two neutral pyridine-3-carbonitrile ligands, was undertaken in order to compare the results obtained with those reported previously. In this context, we synthesized the ZnII-containing title compound, hexa(-benzoato-2O,O0)bis(pyridine-3-carbonitrile-N)trizinc(II), [Zn3(C7H5O2)6(C6H4N2)2], and report its crystal and molecular structures as well as a Hirshfeld surface analysis. Symmetry codes: (i) Àx þ 32; Ày þ 1; z þ 12; (ii) x; y À 1; z
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