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Powder X-ray diffraction of albuterol sulfate (C13H22NO3)2SO4

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
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Abstract

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Type
Rapid Communications
Information
Powder Diffraction , Volume 29 , Issue 2 , June 2014 , pp. 202
Copyright
Copyright © International Centre for Diffraction Data 2014 

Albuterol sulfate (marketed as ProAir HFA or Ventolin HFA) is an important pharmaceutical used for the treatment of asthma. Commercial albuterol sulfate crystallizes in the monoclinic space group Cc (9), with a = 28.0698(1) Å, b = 6.18638(3) Å, c = 16.92605(5) Å, α = 90°, β = 81.1328(3)°, γ = 90°, V = 2904.097(19) Å3, and Z = 4. Previous structure determination did not include hydrogens (Leger et al., Reference Leger, Goursolle, Gadret and Carpy1978). In this work, the sample was ordered from Sigma-Aldrich. 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 albuterol sulfate.

References

Leger, J. M., Goursolle, M.. Gadret, M. and Carpy, A. (1978). “Structure cristalline du sulfate de salbutamol [tert-butylamino-2 (hydroxy-4 hydroxyméthyl-3 phényl)-1 éthanol.0.5H2SO4],” Acta Cryst. B 34, 1203–1208. CSD Refcode SALBUT.CrossRefGoogle Scholar
Figure 0

Figure 1. (Color online) Powder X-ray diffraction pattern of albuterol sulfate.