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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Detalles Bibliográficos
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
Descripción
Sumario: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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