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Crystal structure of atomoxetine hydrochloride (Strattera), C17H22NOCl

Published online by Cambridge University Press:  16 June 2014

James A. Kaduk ,
Cyrus E. Crowder ,
Kai Zhong ,
Timothy G. Fawcett  and
Matthew R. Suchomel
James A. Kaduk*
Affiliation:
Illinois Institute of Technology, 3101 S. Dearborn Street, Chicago, Illinois 60616
Cyrus E. Crowder
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania, 19073-3273
Kai Zhong
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania, 19073-3273
Timothy G. Fawcett
Affiliation:
ICDD, 12 Campus Boulevard, Newtown Square, Pennsylvania, 19073-3273
Matthew 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: [email protected]
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Abstract

Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P212121 (#19), with a = 7.362 554(12), b = 13.340 168(27), c = 16.701 887(33) Å, V = 1640.421(5) Å3, and Z = 4. The structure was solved and refined using synchrotron powder diffraction data, and Rietveld and density functional techniques. The most prominent feature of the structure is zigzag chains of N–H···Cl hydrogen bonds along the a-axis. The powder pattern has been submitted to the ICDD for inclusion in future releases of the Powder Diffraction File™.

Keywords

atomoxetinehydrochloridepowder diffractionRietvelddensity functional
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue 3 , September 2014 , pp. 269 - 273
Copyright
Copyright © International Centre for Diffraction Data 2014 

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