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2-(Tri-methyl-aza-nium-yl)ethyl hydrogen phosphate (phospho-choline) mono-hydrate
Yohsuke Nikawa1, Kyoko Fujita2, Keiichi Noguchi3
1Department of Biotechnology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan ; Functional Ionic liquid Laboratories, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei, Japan.
Abstract:
In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phospho-choline mol-ecules 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 mol-ecules, forming a layer parallel to (101). Three and one C-H⋯O inter-actions 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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