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Phenytoin sodium monohydrate, C15H11N2O2Na(H2O)

Published online by Cambridge University Press:  28 February 2018

James A. Kaduk ,
Amy M. Gindhart  and
Thomas N. Blanton
James A. Kaduk*
Affiliation:
Illinois Institute of Technology, 3101 S. Dearborn St., Chicago IL 60616, USA North Central College, 30 N. Brainard St., Naperville IL 60540, USA
Amy M. Gindhart
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square PA, 19073-3273, USA
Thomas N. Blanton
Affiliation:
ICDD, 12 Campus Blvd., Newtown Square PA, 19073-3273, USA
*
a)Author to whom correspondence should be addressed. Electronic mail: kaduk@polycrystallography.com
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Abstract

The crystal structure of phenytoin sodium monohydrate at 295 K has been refined using synchrotron powder diffraction data, and optimized using density functional techniques.

Type
Data Report
Information
Powder Diffraction , Volume 33 , Issue 2 , June 2018 , pp. 178 - 179
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Copyright
Copyright © International Centre for Diffraction Data 2018 

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References

Bosch, R. L., Johnson, P. R., and Stahl, R. J. (2001). “Crystalline Sodium Phenytoin Monohydrate,” U.S. Patent 6,245,917.Google Scholar
Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C. M., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M., D-Arco, P., Noël, Y., Causà, M., and Kirtman, B. (2014). “CRYSTAL14: a program for ab initio investigation of crystalline solids,” Int. J. Quantum Chem. 114, 1287–1317.Google Scholar
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