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Powder X-ray diffraction of risedronate sodium hemipentahydrate, C7H10NNaO7P2(H2O)2.5

Published online by Cambridge University Press:  15 May 2014

J.A. Kaduk ,
C.E. Crowder ,
K. Zhong ,
T.G. Fawcett  and
M.R. Suchomel
J.A. Kaduk
Affiliation:
Illinois Institute of Technology, 3101 S. Dearborn Street, Chicago, Illinois 60616
C.E. Crowder
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
K. Zhong*
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
T.G. Fawcett
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania 19073-3273
M.R. Suchomel
Affiliation:
Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439
*
a)Author to whom correspondence should be addressed. Electronic mail: zhong@icdd.com

Abstract

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Information

Type
Rapid Communications
Information
Powder Diffraction , Volume 29 , Issue 2 , June 2014 , pp. 200
Copyright
Copyright © International Centre for Diffraction Data 2014 

Risedronate sodium hemipentahydrate (marketed as Actonel) is an important pharmaceutical used to treat osteoporosis and Paget's disease. Commercial risedronate sodium hemipentahydrate crystallizes in the monoclinic space group I2/a (15), with a = 15.115041(28) Å, b = 8.966675(16) Å, c = 20.60783(4) Å, α = 90°, β = 106.7983(2)°, γ = 90°, V = 2673.830(9) Å3, and Z = 4. Previous structure determination did not include hydrogens (Gossman et al., Reference Gossman, Wilson and Oldfield2003). In this work, the sample was ordered from United States Pharmacopeia (USP). The structure was solved and refined using synchrotron (λ = 0.413914 Å) powder diffraction data, and Rietveld and density functional techniques. Figure 1 shows the Powder X-ray diffraction pattern of the compound.

Figure 1.

(Color Online) Powder X-ray diffraction pattern of risedronate sodium hemipentahydrate.

References

Gossman, W. L., Wilson, S. R. and Oldfield, E. (2003). “Three hydrates of the bisphosphonate risedronate, consisting of one molecular and two ionic structures,” Acta Cryst. 59(2), m33–m36. CSD Refcode WURPUU.Google Scholar
Figure 0

Figure 1. (Color Online) Powder X-ray diffraction pattern of risedronate sodium hemipentahydrate.