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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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Detalles Bibliográficos
Autores principales: Freire, Eleonora, Vega, Daniel R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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