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Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))cadmium(II) 3.5-hydrate
In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water molecules and N,O-chelated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate anions in a distorted octahedral geometry. The two imidazole rings are oriented to each other with a dihedral...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007830/ https://www.ncbi.nlm.nih.gov/pubmed/21588563 http://dx.doi.org/10.1107/S1600536810031466 |
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author | Li, Shi-Jie Dong, Jing-Jing Song, Wen-Dong Yan, Jian-Bin Li, Shi-Hong |
author_facet | Li, Shi-Jie Dong, Jing-Jing Song, Wen-Dong Yan, Jian-Bin Li, Shi-Hong |
author_sort | Li, Shi-Jie |
collection | PubMed |
description | In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water molecules and N,O-chelated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate anions in a distorted octahedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O—H⋯O hydrogen bonds between protonated and deprotonated carboxylate groups occur in the molecular structure. In the crystal structure extensive O—H⋯O and N—H⋯O hydrogen bonds help to stabilize the three-dimensional supramolecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8). |
format | Text |
id | pubmed-3007830 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30078302010-12-30 Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))cadmium(II) 3.5-hydrate Li, Shi-Jie Dong, Jing-Jing Song, Wen-Dong Yan, Jian-Bin Li, Shi-Hong Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water molecules and N,O-chelated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate anions in a distorted octahedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O—H⋯O hydrogen bonds between protonated and deprotonated carboxylate groups occur in the molecular structure. In the crystal structure extensive O—H⋯O and N—H⋯O hydrogen bonds help to stabilize the three-dimensional supramolecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8). International Union of Crystallography 2010-08-28 /pmc/articles/PMC3007830/ /pubmed/21588563 http://dx.doi.org/10.1107/S1600536810031466 Text en © Li 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 Li, Shi-Jie Dong, Jing-Jing Song, Wen-Dong Yan, Jian-Bin Li, Shi-Hong Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2) N (3),O (4))cadmium(II) 3.5-hydrate |
title | Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2)
N
(3),O
(4))cadmium(II) 3.5-hydrate |
title_full | Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2)
N
(3),O
(4))cadmium(II) 3.5-hydrate |
title_fullStr | Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2)
N
(3),O
(4))cadmium(II) 3.5-hydrate |
title_full_unstemmed | Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2)
N
(3),O
(4))cadmium(II) 3.5-hydrate |
title_short | Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ(2)
N
(3),O
(4))cadmium(II) 3.5-hydrate |
title_sort | diaquabis(5-carboxy-2-propyl-1h-imidazole-4-carboxylato-κ(2)
n
(3),o
(4))cadmium(ii) 3.5-hydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007830/ https://www.ncbi.nlm.nih.gov/pubmed/21588563 http://dx.doi.org/10.1107/S1600536810031466 |
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