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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2979235 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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