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Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate

The asymmetric unit of the mononuclear cobalt complex, [Co(C(11)H(13)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water mol­ecule, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co at...

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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/PMC4992899/
https://www.ncbi.nlm.nih.gov/pubmed/27555924
http://dx.doi.org/10.1107/S2056989016008689
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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 asymmetric unit of the mononuclear cobalt complex, [Co(C(11)H(13)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water mol­ecule, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. All ligands coordinating to the Co atom are monodentate. The four nearest O atoms around the Co atom form a slightly distorted square-planar arrangement, with the distorted octa­hedral coordination completed by the two pyridine N atoms of the NA ligands at distances of 2.1638 (11) Å. The coordinating water mol­ecules are hydrogen bonded to the carboxyl O atoms [O ⋯ O = 2.6230 (17) Å], enclosing an S(6) hydrogen-bonding motif, while inter­molecular O—H⋯O hydrogen bonds link two of the non-coordinating water mol­ecules to the coordinating water mol­ecules and NA anions. The dihedral angle between the planar carboxyl­ate group and the adjacent benzene ring is 29.09 (10)°, while the benzene and pyridine rings are oriented at a dihedral angle of 88.53 (4)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, enclosing R (2) (2)(8), R (2) (2)(10) and R (4) (4)(12) ring motifs, forming layers parallel to (001). The C and H atoms of the tert-butyl group of the TBB ligand are disordered over two sets of sites with an occupancy ratio of 0.631 (5):0.369 (5).
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spelling pubmed-49928992016-08-23 Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate Aşkın, Gülçin Şefiye Necefoğlu, Hacali Özkaya, Safiye Çatak Çelik, Raziye Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the mononuclear cobalt complex, [Co(C(11)H(13)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, contains one half of the complex mol­ecule, one coordinating and one non-coordinating water mol­ecule, one 4-tert-butyl­benzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. All ligands coordinating to the Co atom are monodentate. The four nearest O atoms around the Co atom form a slightly distorted square-planar arrangement, with the distorted octa­hedral coordination completed by the two pyridine N atoms of the NA ligands at distances of 2.1638 (11) Å. The coordinating water mol­ecules are hydrogen bonded to the carboxyl O atoms [O ⋯ O = 2.6230 (17) Å], enclosing an S(6) hydrogen-bonding motif, while inter­molecular O—H⋯O hydrogen bonds link two of the non-coordinating water mol­ecules to the coordinating water mol­ecules and NA anions. The dihedral angle between the planar carboxyl­ate group and the adjacent benzene ring is 29.09 (10)°, while the benzene and pyridine rings are oriented at a dihedral angle of 88.53 (4)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, enclosing R (2) (2)(8), R (2) (2)(10) and R (4) (4)(12) ring motifs, forming layers parallel to (001). The C and H atoms of the tert-butyl group of the TBB ligand are disordered over two sets of sites with an occupancy ratio of 0.631 (5):0.369 (5). International Union of Crystallography 2016-06-03 /pmc/articles/PMC4992899/ /pubmed/27555924 http://dx.doi.org/10.1107/S2056989016008689 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(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title_full Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title_fullStr Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title_full_unstemmed Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title_short Crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κO)bis­(nicotinamide-κN (1))cobalt(II) dihydrate
title_sort crystal structure of di­aqua­bis­(4-tert-butyl­benzoato-κo)bis­(nicotinamide-κn (1))cobalt(ii) dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992899/
https://www.ncbi.nlm.nih.gov/pubmed/27555924
http://dx.doi.org/10.1107/S2056989016008689
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