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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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). |
format | Online Article Text |
id | pubmed-4910347 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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