2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate

In the crystal structure of the title compound, C(5)H(14)NO(4)P·H(2)O, the zwitterionic phospho­choline mol­ecules are connected by an O—H⋯O hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O—H⋯O hydrogen bonds in...

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Autores principales: Nikawa, Yohsuke, Fujita, Kyoko, Noguchi, Keiichi, Ohno, Hiroyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011268/
https://www.ncbi.nlm.nih.gov/pubmed/24860357
http://dx.doi.org/10.1107/S160053681400779X
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author Nikawa, Yohsuke
Fujita, Kyoko
Noguchi, Keiichi
Ohno, Hiroyuki
author_facet Nikawa, Yohsuke
Fujita, Kyoko
Noguchi, Keiichi
Ohno, Hiroyuki
author_sort Nikawa, Yohsuke
collection PubMed
description In the crystal structure of the title compound, C(5)H(14)NO(4)P·H(2)O, the zwitterionic phospho­choline mol­ecules are connected by an O—H⋯O hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O—H⋯O hydrogen bonds involving water mol­ecules, forming a layer parallel to (101). Three and one C—H⋯O inter­actions are also observed in the layer and between the layers, respectively. The conformation of the N—C—C—O backbone is gauche with a torsion angle of −75.8 (2)°
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spelling pubmed-40112682014-05-23 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate Nikawa, Yohsuke Fujita, Kyoko Noguchi, Keiichi Ohno, Hiroyuki Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(5)H(14)NO(4)P·H(2)O, the zwitterionic phospho­choline mol­ecules are connected by an O—H⋯O hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O—H⋯O hydrogen bonds involving water mol­ecules, forming a layer parallel to (101). Three and one C—H⋯O inter­actions are also observed in the layer and between the layers, respectively. The conformation of the N—C—C—O backbone is gauche with a torsion angle of −75.8 (2)° International Union of Crystallography 2014-04-12 /pmc/articles/PMC4011268/ /pubmed/24860357 http://dx.doi.org/10.1107/S160053681400779X Text en © Nikawa et al. 2014 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
Nikawa, Yohsuke
Fujita, Kyoko
Noguchi, Keiichi
Ohno, Hiroyuki
2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title_full 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title_fullStr 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title_full_unstemmed 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title_short 2-(Tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
title_sort 2-(tri­methyl­aza­nium­yl)ethyl hydrogen phosphate (phospho­choline) mono­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011268/
https://www.ncbi.nlm.nih.gov/pubmed/24860357
http://dx.doi.org/10.1107/S160053681400779X
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