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Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2) O,O′]zinc(II) dihydrate
In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)]·2H(2)O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydroxy-1,1′-ethylidenediphophonate)] and one water molecule. The coordination number is 5. There is one half-molecule in the asymmetric unit,...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971399/ https://www.ncbi.nlm.nih.gov/pubmed/21578165 http://dx.doi.org/10.1107/S160053680904286X |
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author | Freire, Eleonora Vega, Daniel R. |
author_facet | Freire, Eleonora Vega, Daniel R. |
author_sort | Freire, Eleonora |
collection | PubMed |
description | In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)]·2H(2)O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydroxy-1,1′-ethylidenediphophonate)] and one water molecule. The coordination number is 5. There is one half-molecule in the asymmetric unit, the zinc atom being located on a twofold rotation axis passing through the metal centre and the coordinating water O atom. The anion exists as a zwitterion with an overall charge of −1; the protonated nitrogen in the ring has a positive charge and the two phosphonates groups each have a single negative charge. Intermolecular O—H⋯O hydrogen bonds link the molecules. An N—H⋯O interaction is also present. |
format | Text |
id | pubmed-2971399 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29713992010-12-30 Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2) O,O′]zinc(II) dihydrate Freire, Eleonora Vega, Daniel R. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title complex, [Zn(C(5)H(9)NO(7)P(2))(2)(H(2)O)]·2H(2)O, the zinc atom is coordinated by two zoledronate anions [zoledronate = (2-(1-imidazole)-1-hydroxy-1,1′-ethylidenediphophonate)] and one water molecule. The coordination number is 5. There is one half-molecule in the asymmetric unit, the zinc atom being located on a twofold rotation axis passing through the metal centre and the coordinating water O atom. The anion exists as a zwitterion with an overall charge of −1; the protonated nitrogen in the ring has a positive charge and the two phosphonates groups each have a single negative charge. Intermolecular O—H⋯O hydrogen bonds link the molecules. An N—H⋯O interaction is also present. International Union of Crystallography 2009-10-23 /pmc/articles/PMC2971399/ /pubmed/21578165 http://dx.doi.org/10.1107/S160053680904286X Text en © Freire and Vega 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 Freire, Eleonora Vega, Daniel R. Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2) O,O′]zinc(II) dihydrate |
title | Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
O,O′]zinc(II) dihydrate |
title_full | Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
O,O′]zinc(II) dihydrate |
title_fullStr | Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
O,O′]zinc(II) dihydrate |
title_full_unstemmed | Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
O,O′]zinc(II) dihydrate |
title_short | Aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
O,O′]zinc(II) dihydrate |
title_sort | aquabis[1-hydroxy-2-(imidazol-3-ium-1-yl)-1,1′-ethylidenediphophonato-κ(2)
o,o′]zinc(ii) dihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971399/ https://www.ncbi.nlm.nih.gov/pubmed/21578165 http://dx.doi.org/10.1107/S160053680904286X |
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