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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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). |
format | Text |
id | pubmed-2971022 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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