Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate

In the title compound, 3C(12)H(24)N(+)·C(5)H(7)N(2)O(7)P(2) (3−)·C(2)H(6)O·H(2)O, the zoledronic acid mol­ecule is singly protonated and stabilized by an intra­molecular O—H⋯O inter­action. The three-dimensional crystal structure is stabilized by inter­molecular O—H⋯O, O—H⋯N and N—H⋯O inter­actions....

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Detalles Bibliográficos
Autores principales: Sarkar, Anindita, Cukrowski, Ignacy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247383/
https://www.ncbi.nlm.nih.gov/pubmed/22220001
http://dx.doi.org/10.1107/S1600536811042206
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author Sarkar, Anindita
Cukrowski, Ignacy
author_facet Sarkar, Anindita
Cukrowski, Ignacy
author_sort Sarkar, Anindita
collection PubMed
description In the title compound, 3C(12)H(24)N(+)·C(5)H(7)N(2)O(7)P(2) (3−)·C(2)H(6)O·H(2)O, the zoledronic acid mol­ecule is singly protonated and stabilized by an intra­molecular O—H⋯O inter­action. The three-dimensional crystal structure is stabilized by inter­molecular O—H⋯O, O—H⋯N and N—H⋯O inter­actions. The ethanol solvent mol­ecule is disordered over two positions; the site-occupancy factor of the major component is 0.510 (4).
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spelling pubmed-32473832012-01-04 Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate Sarkar, Anindita Cukrowski, Ignacy Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 3C(12)H(24)N(+)·C(5)H(7)N(2)O(7)P(2) (3−)·C(2)H(6)O·H(2)O, the zoledronic acid mol­ecule is singly protonated and stabilized by an intra­molecular O—H⋯O inter­action. The three-dimensional crystal structure is stabilized by inter­molecular O—H⋯O, O—H⋯N and N—H⋯O inter­actions. The ethanol solvent mol­ecule is disordered over two positions; the site-occupancy factor of the major component is 0.510 (4). International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247383/ /pubmed/22220001 http://dx.doi.org/10.1107/S1600536811042206 Text en © Sarkar and Cukrowski 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 Organic Papers
Sarkar, Anindita
Cukrowski, Ignacy
Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title_full Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title_fullStr Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title_full_unstemmed Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title_short Tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1H-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
title_sort tris(dicyclo­hexyl­ammonium) hydrogen [1-hy­droxy-2-(1h-imidazol-1-yl)-1-phospho­natoethane]­phospho­nate ethanol monosolvate mono­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247383/
https://www.ncbi.nlm.nih.gov/pubmed/22220001
http://dx.doi.org/10.1107/S1600536811042206
work_keys_str_mv AT sarkaranindita trisdicyclohexylammoniumhydrogen1hydroxy21himidazol1yl1phosphonatoethanephosphonateethanolmonosolvatemonohydrate
AT cukrowskiignacy trisdicyclohexylammoniumhydrogen1hydroxy21himidazol1yl1phosphonatoethanephosphonateethanolmonosolvatemonohydrate

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