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Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)

In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl­benzoate (PMB) anion, one N,N-diethyl­nicotinamide (DENA) ligand and one coordinated water mol­ecule. The...

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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/PMC2979235/
https://www.ncbi.nlm.nih.gov/pubmed/21579040
http://dx.doi.org/10.1107/S1600536810013954
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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 In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl­benzoate (PMB) anion, one N,N-diethyl­nicotinamide (DENA) ligand and one coordinated water mol­ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter­molecular O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π–π contacts between the pyridine rings [centroid–centroid distance = 3.544 (1) Å] and weak C—H⋯π inter­actions involving the benzene ring.
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spelling pubmed-29792352010-12-30 Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II) Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Ermiş, Emel Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl­benzoate (PMB) anion, one N,N-diethyl­nicotinamide (DENA) ligand and one coordinated water mol­ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter­molecular O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π–π contacts between the pyridine rings [centroid–centroid distance = 3.544 (1) Å] and weak C—H⋯π inter­actions involving the benzene ring. International Union of Crystallography 2010-04-21 /pmc/articles/PMC2979235/ /pubmed/21579040 http://dx.doi.org/10.1107/S1600536810013954 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(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title_full Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title_fullStr Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title_full_unstemmed Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title_short Diaqua­bis(N,N-diethyl­nicotinamide-κN (1))bis­(4-methyl­benzoato-κO)cobalt(II)
title_sort diaqua­bis(n,n-diethyl­nicotinamide-κn (1))bis­(4-methyl­benzoato-κo)cobalt(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979235/
https://www.ncbi.nlm.nih.gov/pubmed/21579040
http://dx.doi.org/10.1107/S1600536810013954
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