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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2970982 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT hokelektuncer tetraaquabisnicotinamidekn1nickeliibis2fluorobenzoate AT dalhakan tetraaquabisnicotinamidekn1nickeliibis2fluorobenzoate AT tercanbarıs tetraaquabisnicotinamidekn1nickeliibis2fluorobenzoate AT ozbekfelif tetraaquabisnicotinamidekn1nickeliibis2fluorobenzoate AT necefogluhacali tetraaquabisnicotinamidekn1nickeliibis2fluorobenzoate |