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Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)

The title Ni(II) complex, [Ni(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion center. The mol­ecule contains two 4-methyl­benzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water mol­ecules, all ligands being monodentate. T...

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Autores principales: Necefoğlu, Hacali, Çimen, Efdal, Tercan, Barış, Ermiş, Emel, Hökelek, Tuncer
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984063/
https://www.ncbi.nlm.nih.gov/pubmed/21580476
http://dx.doi.org/10.1107/S1600536810007385
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author Necefoğlu, Hacali
Çimen, Efdal
Tercan, Barış
Ermiş, Emel
Hökelek, Tuncer
author_facet Necefoğlu, Hacali
Çimen, Efdal
Tercan, Barış
Ermiş, Emel
Hökelek, Tuncer
author_sort Necefoğlu, Hacali
collection PubMed
description The title Ni(II) complex, [Ni(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion center. The mol­ecule contains two 4-methyl­benzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water mol­ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H⋯π inter­action involving the pyridine ring also occurs.
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spelling pubmed-29840632010-12-30 Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II) Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Ermiş, Emel Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title Ni(II) complex, [Ni(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion center. The mol­ecule contains two 4-methyl­benzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water mol­ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 26.15 (10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81 (4)°. In the crystal structure, inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.896 (1) Å] may further stabilize the crystal structure. A weak C—H⋯π inter­action involving the pyridine ring also occurs. International Union of Crystallography 2010-03-03 /pmc/articles/PMC2984063/ /pubmed/21580476 http://dx.doi.org/10.1107/S1600536810007385 Text en © Necefoğlu et al. 2010 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
Necefoğlu, Hacali
Çimen, Efdal
Tercan, Barış
Ermiş, Emel
Hökelek, Tuncer
Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title_full Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title_fullStr Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title_full_unstemmed Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title_short Diaqua­bis(4-methyl­benzoato-κO)bis­(nicotinamide-κN (1))nickel(II)
title_sort diaqua­bis(4-methyl­benzoato-κo)bis­(nicotinamide-κn (1))nickel(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984063/
https://www.ncbi.nlm.nih.gov/pubmed/21580476
http://dx.doi.org/10.1107/S1600536810007385
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