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

The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl­benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol­ecule; the FB ions act as bidentate ligands. The coordination number of the C...

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Autores principales: Hökelek, Tuncer, Yılmaz, Filiz, Tercan, Barış, Gürgen, Ferdi, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971022/
https://www.ncbi.nlm.nih.gov/pubmed/21578154
http://dx.doi.org/10.1107/S1600536809042640
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author Hökelek, Tuncer
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
Necefoğlu, Hacali
author_facet Hökelek, Tuncer
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
Necefoğlu, Hacali
author_sort Hökelek, Tuncer
collection PubMed
description The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl­benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol­ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra­molecular O—H⋯O hydrogen bonds link the uncoordinated water mol­ecules to the carboxyl groups. The dihedral angle between the carboxyl­ate groups and the adjacent benzene rings are 17.53 (13) and 16.55 (14)°. In the crystal structure, inter­molecular O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759 (3):0.241 (3).
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spelling pubmed-29710222010-12-30 Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl­benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol­ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra­molecular O—H⋯O hydrogen bonds link the uncoordinated water mol­ecules to the carboxyl groups. The dihedral angle between the carboxyl­ate groups and the adjacent benzene rings are 17.53 (13) and 16.55 (14)°. In the crystal structure, inter­molecular O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into a supra­molecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759 (3):0.241 (3). International Union of Crystallography 2009-10-23 /pmc/articles/PMC2971022/ /pubmed/21578154 http://dx.doi.org/10.1107/S1600536809042640 Text en © Hökelek et al. 2009 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
Hökelek, Tuncer
Yılmaz, Filiz
Tercan, Barış
Gürgen, Ferdi
Necefoğlu, Hacali
Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title_full Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title_fullStr Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title_full_unstemmed Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title_short Aqua­bis(4-formyl­benzoato-κ(2) O (1),O (1′))bis­(isonicotinamide-κN (1))cadmium(II) monohydrate
title_sort aqua­bis(4-formyl­benzoato-κ(2) o (1),o (1′))bis­(isonicotinamide-κn (1))cadmium(ii) monohydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971022/
https://www.ncbi.nlm.nih.gov/pubmed/21578154
http://dx.doi.org/10.1107/S1600536809042640
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