Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)

organic compounds

is5344 scheme

Acta Cryst. (2014). E70, o549    [ doi:10.1107/S160053681400779X ]

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

Y. Nikawa, K. Fujita, K. Noguchi and H. Ohno

Abstract: In the crystal structure of the title compound, C5H14NO4P·H2O, 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)°

CCDC reference: 996006

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