Crystal structure of triaqua(4-cyanobenzoato-?2O,O')(nicotinamide-?N1)zinc 4-cyanobenzoate

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dc.authoridHokelek, Tuncer -- 0000-0002-8602-4382;
dc.contributor.authorAşkın, Gülcin Çefiye
dc.contributor.authorNecefoğlu, Hacali
dc.contributor.authorNayır, Gamze Yılmaz
dc.contributor.authorÇelik, Raziye Çatak
dc.contributor.authorHökelek, Tuncer
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:19:00Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:19:00Z
dc.date.issued2015
dc.departmentBilimsel ve Teknolojik Uygulama ve Araştırma Merkezi
dc.description.abstractThe asymmetric unit of the title salt, [Zn(C8H4NO2)(C6H6N2O)(H2O)(3)](C8H4NO2), contains one complex cation and one 4-cyanobenzoate (CNB) counter-anion. The Zn II atom in the cation is coordinated by one 4cyanobenzoate ligand, one nicotinamide (NA) ligand and three water molecules, the CNB anion thereby coordinating in a bidentate O, O'-mode through the carboxylate group. The latter, together with one water O atom and the N atom of the NA ligand, form a distorted square-planar arrangement, while the considerably distorted octahedral coordination sphere of the Zn II atom is completed by the two O atoms of additional water molecules in the axial positions. The dihedral angles between the planar carboxylate groups and the adjacent benzene rings in the two anions are 10.25 (10) and 5.89 (14) degrees. Intermolecular O-H center dot center dot center dot O hydrogen bonds link two of the coordinating water molecules to two free CNB anions. In the crystal, further hydrogen-bonding interactions are present, namely N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds that link the molecular components, enclosing R-2(2) (12), R-3(3) (8) and R3 3 (9) ring motifs and forming layers parallel to (001). pi-pi contacts between benzene rings [centroid-to-centroid distances = 3.791 (1) and 3.882 (1) angstrom] may further stabilize the crystal structure.
dc.description.sponsorshipAksaray University, Science and Technology Application and Research Center, Aksaray, Turkey [2010K120480]
dc.description.sponsorshipThe authors acknowledge the Aksaray University, Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization).
dc.identifier.doi10.1107/S2056989015009743
dc.identifier.endpage+en_US
dc.identifier.issn2056-9890
dc.identifier.pmid26090150
dc.identifier.scopusqualityQ3
dc.identifier.startpage684en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989015009743
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4945
dc.identifier.volume71en_US
dc.identifier.wosWOS:000369979300078
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCrystal Structure
dc.subjectZinc
dc.subjectTransition Metal Complexes
dc.subjectBenzoic Acid Nicotinamide
dc.titleCrystal structure of triaqua(4-cyanobenzoato-?2O,O')(nicotinamide-?N1)zinc 4-cyanobenzoate
dc.typeArticle

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