Cargando…

Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate

In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN(2)O(4) geometry. One of PMB ions acts...

Descripción completa

Detalles Bibliográficos
Autores principales: Necefoğlu, Hacali, Çimen, Efdal, Tercan, Barış, Süzen, Yasemin, Hökelek, Tuncer
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984084/
https://www.ncbi.nlm.nih.gov/pubmed/21580498
http://dx.doi.org/10.1107/S1600536810008366
_version_ 1782192031004622848
author Necefoğlu, Hacali
Çimen, Efdal
Tercan, Barış
Süzen, Yasemin
Hökelek, Tuncer
author_facet Necefoğlu, Hacali
Çimen, Efdal
Tercan, Barış
Süzen, Yasemin
Hökelek, Tuncer
author_sort Necefoğlu, Hacali
collection PubMed
description In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water mol­ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π inter­actions involving the pyridine rings also occur in the crystal structure.
format Text
id pubmed-2984084
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29840842010-12-30 Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate Necefoğlu, Hacali Çimen, Efdal Tercan, Barış Süzen, Yasemin Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl­benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol­ecule in a distorted octa­hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O—H⋯O hydrogen bond links the uncoordinated water mol­ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28 (11) and 21.24 (9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90 (4) and 88.64 (4)°, respectively. In the crystal structure, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. A π–π contact between the benzene rings [centroid–centroid distance = 3.911 (1) Å] may further stabilize the crystal structure. Weak C—H⋯π inter­actions involving the pyridine rings also occur in the crystal structure. International Union of Crystallography 2010-03-13 /pmc/articles/PMC2984084/ /pubmed/21580498 http://dx.doi.org/10.1107/S1600536810008366 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
Süzen, Yasemin
Hökelek, Tuncer
Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title_full Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title_fullStr Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title_full_unstemmed Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title_short Aqua­bis(isonicotinamide-κN (1))bis­(4-methyl­benzoato)-κO;κ(2) O,O′-cadmium(II) monohydrate
title_sort aqua­bis(isonicotinamide-κn (1))bis­(4-methyl­benzoato)-κo;κ(2) o,o′-cadmium(ii) monohydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984084/
https://www.ncbi.nlm.nih.gov/pubmed/21580498
http://dx.doi.org/10.1107/S1600536810008366
work_keys_str_mv AT necefogluhacali aquabisisonicotinamidekn1bis4methylbenzoatokok2oocadmiumiimonohydrate
AT cimenefdal aquabisisonicotinamidekn1bis4methylbenzoatokok2oocadmiumiimonohydrate
AT tercanbarıs aquabisisonicotinamidekn1bis4methylbenzoatokok2oocadmiumiimonohydrate
AT suzenyasemin aquabisisonicotinamidekn1bis4methylbenzoatokok2oocadmiumiimonohydrate
AT hokelektuncer aquabisisonicotinamidekn1bis4methylbenzoatokok2oocadmiumiimonohydrate