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Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)

The centrosymmetric mol­ecule in the monomeric title cobalt complex, [Co(C(10)H(11)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two water mol­ecules, two 2,4,6-tri­methyl­benzoate (TMB) ligands and two di­ethyl­nicotinamide (DENA) ligands. All ligands coordinate to the Co(II) atom in a monodent...

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Autores principales: Aşkın, Gülçin Şefiye, Necefoğlu, Hacali, Özkaya, Safiye, Çatak Çelik, Raziye, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910347/
https://www.ncbi.nlm.nih.gov/pubmed/27375874
http://dx.doi.org/10.1107/S2056989016004059
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author Aşkın, Gülçin Şefiye
Necefoğlu, Hacali
Özkaya, Safiye
Çatak Çelik, Raziye
Hökelek, Tuncer
author_facet Aşkın, Gülçin Şefiye
Necefoğlu, Hacali
Özkaya, Safiye
Çatak Çelik, Raziye
Hökelek, Tuncer
author_sort Aşkın, Gülçin Şefiye
collection PubMed
description The centrosymmetric mol­ecule in the monomeric title cobalt complex, [Co(C(10)H(11)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two water mol­ecules, two 2,4,6-tri­methyl­benzoate (TMB) ligands and two di­ethyl­nicotinamide (DENA) ligands. All ligands coordinate to the Co(II) atom in a monodentate fashion. The four O atoms around the Co(II) atom form a slightly distorted square-planar arrangement, with the distorted octa­hedral coordination sphere completed by two pyridine N atoms of the DENA ligands. The dihedral angle between the planar carboxyl­ate group and the adjacent benzene ring is 84.2 (4)°, while the benzene and pyridine rings are oriented at a dihedral angle of 38.87 (10)°. The water mol­ecules exhibit both intra­molecular (to the non-coordinating carboxyl­ate O atom) and inter­molecular (to the amide carbonyl O atom) O—H⋯O hydrogen bonds. The latter lead to the formation of layers parallel to (100), enclosing R (4) (4)(32) ring motifs. These layers are further linked via weak C—H⋯O hydrogen bonds, resulting in a three-dimensional network. One of the two ethyl groups of the DENA ligand is disordered over two sets of sites with an occupancy ratio of 0.490 (13):0.510 (13).
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spelling pubmed-49103472016-07-01 Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II) Aşkın, Gülçin Şefiye Necefoğlu, Hacali Özkaya, Safiye Çatak Çelik, Raziye Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications The centrosymmetric mol­ecule in the monomeric title cobalt complex, [Co(C(10)H(11)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two water mol­ecules, two 2,4,6-tri­methyl­benzoate (TMB) ligands and two di­ethyl­nicotinamide (DENA) ligands. All ligands coordinate to the Co(II) atom in a monodentate fashion. The four O atoms around the Co(II) atom form a slightly distorted square-planar arrangement, with the distorted octa­hedral coordination sphere completed by two pyridine N atoms of the DENA ligands. The dihedral angle between the planar carboxyl­ate group and the adjacent benzene ring is 84.2 (4)°, while the benzene and pyridine rings are oriented at a dihedral angle of 38.87 (10)°. The water mol­ecules exhibit both intra­molecular (to the non-coordinating carboxyl­ate O atom) and inter­molecular (to the amide carbonyl O atom) O—H⋯O hydrogen bonds. The latter lead to the formation of layers parallel to (100), enclosing R (4) (4)(32) ring motifs. These layers are further linked via weak C—H⋯O hydrogen bonds, resulting in a three-dimensional network. One of the two ethyl groups of the DENA ligand is disordered over two sets of sites with an occupancy ratio of 0.490 (13):0.510 (13). International Union of Crystallography 2016-03-15 /pmc/articles/PMC4910347/ /pubmed/27375874 http://dx.doi.org/10.1107/S2056989016004059 Text en © Aşkın et al. 2016 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 Research Communications
Aşkın, Gülçin Şefiye
Necefoğlu, Hacali
Özkaya, Safiye
Çatak Çelik, Raziye
Hökelek, Tuncer
Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title_full Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title_fullStr Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title_full_unstemmed Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title_short Crystal structure of di­aqua­bis­(N,N-di­ethyl­nicotinamide-κN (1))bis­(2,4,6-tri­methyl­benzoato-κO (1))cobalt(II)
title_sort crystal structure of di­aqua­bis­(n,n-di­ethyl­nicotinamide-κn (1))bis­(2,4,6-tri­methyl­benzoato-κo (1))cobalt(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910347/
https://www.ncbi.nlm.nih.gov/pubmed/27375874
http://dx.doi.org/10.1107/S2056989016004059
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