Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782449076570161152 |
---|---|
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). |
format | Online Article Text |
id | pubmed-4992899 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT askıngulcinsefiye crystalstructureofdiaquabis4tertbutylbenzoatokobisnicotinamidekn1cobaltiidihydrate AT necefogluhacali crystalstructureofdiaquabis4tertbutylbenzoatokobisnicotinamidekn1cobaltiidihydrate AT ozkayasafiye crystalstructureofdiaquabis4tertbutylbenzoatokobisnicotinamidekn1cobaltiidihydrate AT catakcelikraziye crystalstructureofdiaquabis4tertbutylbenzoatokobisnicotinamidekn1cobaltiidihydrate AT hokelektuncer crystalstructureofdiaquabis4tertbutylbenzoatokobisnicotinamidekn1cobaltiidihydrate |