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Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate

The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl­benzoate (FB) counter-anion and an uncoordinated water mol­ecule. The four O atoms in the equato...

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Autores principales: Hökelek, Tuncer, Yılmaz, Filiz, Tercan, Barış, Gürgen, Ferdi, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970033/
https://www.ncbi.nlm.nih.gov/pubmed/21577450
http://dx.doi.org/10.1107/S1600536809032279
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author Hökelek, Tuncer
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
Necefoğlu, Hacali
author_facet Hökelek, Tuncer
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
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(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl­benzoate (FB) counter-anion and an uncoordinated water mol­ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa­hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.
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spelling pubmed-29700332010-12-30 Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi 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(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formyl­benzoate (FB) counter-anion and an uncoordinated water mol­ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa­hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure. International Union of Crystallography 2009-08-19 /pmc/articles/PMC2970033/ /pubmed/21577450 http://dx.doi.org/10.1107/S1600536809032279 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
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
Necefoğlu, Hacali
Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title_full Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title_fullStr Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title_full_unstemmed Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title_short Tetra­aqua­bis(isonicotinamide-κN (1))nickel(II) bis­(4-formyl­benzoate) dihydrate
title_sort tetra­aqua­bis(isonicotinamide-κn (1))nickel(ii) bis­(4-formyl­benzoate) dihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970033/
https://www.ncbi.nlm.nih.gov/pubmed/21577450
http://dx.doi.org/10.1107/S1600536809032279
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