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Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)

The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro­benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a sl...

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Autores principales: Hökelek, Tuncer, Dal, Hakan, Tercan, Barış, Özbek, F. Elif, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970982/
https://www.ncbi.nlm.nih.gov/pubmed/21578089
http://dx.doi.org/10.1107/S1600536809040392
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author Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Özbek, F. Elif
Necefoğlu, Hacali
author_facet Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Özbek, F. Elif
Necefoğlu, Hacali
author_sort Hökelek, Tuncer
collection PubMed
description The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro­benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni—O bond length of 2.079 Å, and the slightly distorted octa­hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O—H⋯O, N—H⋯O, C—H⋯O, and C—H⋯F hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the pyridine and benzene rings [centroid–centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro­benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.
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spelling pubmed-29709822010-12-30 Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate) Hökelek, Tuncer Dal, Hakan Tercan, Barış Özbek, F. Elif Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro­benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni—O bond length of 2.079 Å, and the slightly distorted octa­hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O—H⋯O, N—H⋯O, C—H⋯O, and C—H⋯F hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the pyridine and benzene rings [centroid–centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro­benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15. International Union of Crystallography 2009-10-10 /pmc/articles/PMC2970982/ /pubmed/21578089 http://dx.doi.org/10.1107/S1600536809040392 Text en © Hökelek et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Hökelek, Tuncer
Dal, Hakan
Tercan, Barış
Özbek, F. Elif
Necefoğlu, Hacali
Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title_full Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title_fullStr Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title_full_unstemmed Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title_short Tetra­aqua­bis(nicotinamide-κN (1))nickel(II) bis­(2-fluoro­benzoate)
title_sort tetra­aqua­bis(nicotinamide-κn (1))nickel(ii) bis­(2-fluoro­benzoate)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970982/
https://www.ncbi.nlm.nih.gov/pubmed/21578089
http://dx.doi.org/10.1107/S1600536809040392
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