Received 22 February 2014
aDepartment of Biotechnology, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan,bFunctional Ionic liquid Laboratories, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Naka-cho, Koganei, Japan,cJapan Science and Technology Agency (JST), Core Research for Evolutional Science and Technology (CREST), Chiyoda, Japan, and dInstrumentation Analysis Center, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei, Tokyo 184-8588, Japan
Correspondence e-mail: email@example.com
In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phosphocholine molecules are connected by an O-HO hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O-HO hydrogen bonds involving water molecules, forming a layer parallel to (101). Three and one C-HO 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)°
Data collection: PROCESS-AUTO (Rigaku, 2004); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2010); program(s) used to solve structure: Il Milione (Burla et al., 2007); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97.
Supporting information for this paper is available from the IUCr electronic archives (Reference: IS5344 ).
This research was supported by a Grant-in-Aid for Scientific Research to HO (No. 21225007) and KF (No. 23750120) from the Japan Society for the Promotion of Science. KF is grateful to the Funds for Development of Human Resources in Science and Technology "Supporting positive activities for female researchers", the Ministry of Education, Culture, Sports, Science and Technology, Japan.
Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Fujita, K., MacFarlane, D. R., Noguchi, K. & Ohno, H. (2009). Acta Cryst. E65, o709.
McAlister, J., Fries, D. & Sundaralingam, M. (1979). Acta Cryst. B35, 2696-2699.
Pearson, R. H. & Pascher, I. (1979). Nature, 281, 499-501.
Rigaku (1999). NUMABS. Rigaku Corporation, Tokyo, Japan.
Rigaku (2004). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.