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Aquabis(3,5-dimethyl-1H-pyrazole-κN (2))(oxydiacetato-κ(3) O,O′,O′′)copper(II) dihydrate
In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule. The tridentate ODA ligand chelates to...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120427/ https://www.ncbi.nlm.nih.gov/pubmed/21754590 http://dx.doi.org/10.1107/S1600536811015169 |
| _version_ | 1782206676895531008 |
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| author | Wang, Yan-Li Chang, Guang-Jun Liu, Bing-Xin |
| author_facet | Wang, Yan-Li Chang, Guang-Jun Liu, Bing-Xin |
| author_sort | Wang, Yan-Li |
| collection | PubMed |
| description | In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the molecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive intermolecular O—H⋯O and N—H⋯O hydrogen bonding is present in the crystal structure. |
| format | Online Article Text |
| id | pubmed-3120427 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-31204272011-07-13 Aquabis(3,5-dimethyl-1H-pyrazole-κN (2))(oxydiacetato-κ(3) O,O′,O′′)copper(II) dihydrate Wang, Yan-Li Chang, Guang-Jun Liu, Bing-Xin Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octahedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water molecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the molecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive intermolecular O—H⋯O and N—H⋯O hydrogen bonding is present in the crystal structure. International Union of Crystallography 2011-05-07 /pmc/articles/PMC3120427/ /pubmed/21754590 http://dx.doi.org/10.1107/S1600536811015169 Text en © Wang et al. 2011 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 Wang, Yan-Li Chang, Guang-Jun Liu, Bing-Xin Aquabis(3,5-dimethyl-1H-pyrazole-κN (2))(oxydiacetato-κ(3) O,O′,O′′)copper(II) dihydrate |
| title | Aquabis(3,5-dimethyl-1H-pyrazole-κN
(2))(oxydiacetato-κ(3)
O,O′,O′′)copper(II) dihydrate |
| title_full | Aquabis(3,5-dimethyl-1H-pyrazole-κN
(2))(oxydiacetato-κ(3)
O,O′,O′′)copper(II) dihydrate |
| title_fullStr | Aquabis(3,5-dimethyl-1H-pyrazole-κN
(2))(oxydiacetato-κ(3)
O,O′,O′′)copper(II) dihydrate |
| title_full_unstemmed | Aquabis(3,5-dimethyl-1H-pyrazole-κN
(2))(oxydiacetato-κ(3)
O,O′,O′′)copper(II) dihydrate |
| title_short | Aquabis(3,5-dimethyl-1H-pyrazole-κN
(2))(oxydiacetato-κ(3)
O,O′,O′′)copper(II) dihydrate |
| title_sort | aquabis(3,5-dimethyl-1h-pyrazole-κn
(2))(oxydiacetato-κ(3)
o,o′,o′′)copper(ii) dihydrate |
| topic | Metal-Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120427/ https://www.ncbi.nlm.nih.gov/pubmed/21754590 http://dx.doi.org/10.1107/S1600536811015169 |
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