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Crystal structure and Hirshfeld surface analysis of hexakis(μ-benzoato-κ(2) O:O′)bis(pyridine-3-carbonitrile-κN (1))trizinc(II)
The asymmetric unit of the title complex, [Zn(3)(C(7)H(5)O(2))(6)(C(6)H(4)N(2))(2)], contains one half of the complex molecule, i.e. one and a half Zn(II) cations, three benzoate (Bnz) and one pyridine-3-carbonitrile (Cpy) molecule; the Bnz anions act as bidentate ligands through the carboxylate...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730262/ https://www.ncbi.nlm.nih.gov/pubmed/29250425 http://dx.doi.org/10.1107/S2056989017016899 |
Sumario: | The asymmetric unit of the title complex, [Zn(3)(C(7)H(5)O(2))(6)(C(6)H(4)N(2))(2)], contains one half of the complex molecule, i.e. one and a half Zn(II) 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 complete centrosymmetric trinuclear complex thus comprises a linear array of three Zn(II) cations. The central Zn(II) cation shows an octahedral coordination and is bridged to each of the terminal Zn(II) cations by three Bnz anions. By additional coordination of the CPy ligand, the terminal Zn(II) 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 interactions [between the benzene and pyridine rings of adjacent molecules with an intercentroid 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. |
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