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Powder X-ray diffraction of ibandronate sodium monohydrate, C9H22NNaO7P2(H2O)

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:
Argonne National Laboratory, Advanced Photon Source, 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. 201
Copyright
Copyright © International Centre for Diffraction Data 2014 

Ibandronate sodium monohydrate (marketed as Boniva) is an important pharmaceutical used in the prevention and treatment of osteoporosis. Commercial ibandronate sodium monohydrate crystallizes in the triclinic space group P1(2), with a = 5.97639(5) Å, b = 9.19265(7) Å, c = 14.85368(15) Å, α = 98.0829(11)°, β = 99.2075 (15)°, γ = 93.6981(7)°, V = 794.361(13) Å3, and Z = 2. Previous structure determination did not include hydrogens (Malpezzi et al., Reference Malpezzi, Elisabetta Maccaroni, Carcano and Ventimiglia2012). 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 ibandronate sodium monohydrate.

References

Malpezzi, L., Elisabetta Maccaroni, E., Carcano, G. and Ventimiglia, G. (2012). “Structural and thermal characterization of sodium ibandronate monohydrate,” J. Thermal. Anal. Calorim. 109, 373–379. CSD Refcode YEHJOM.CrossRefGoogle Scholar
Figure 0

Figure 1. (Color Online) Powder X-ray diffraction pattern of ibandronate sodium monohydrate.