Crystal structure of atomoxetine hydrochloride (Strattera), C sub(17)H sub(22)NOCl

Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P2 sub(1)2 sub(1)2 sub(1) (#19), with a = 7.362 554(12), b = 13.340 168(27), c = 16.701 887(33) Aa, V = 1640.421(5) Aa super(3), and Z = 4. The structure was solved and refined using synchrotron powder diffraction data...

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Bibliographic Details
Published in:Powder diffraction 2014-09, Vol.29 (3), p.269-273
Main Authors: Kaduk, James A, Crowder, Cyrus E, Zhong, Kai, Fawcett, Timothy G, Suchomel, Matthew R
Format: Article
Language:English
Subjects:
Crystal structure
Crystallization
Density
Diffraction
Diffraction patterns
Hydrochlorides
Hydrogen bonds
Synchrotrons
Online Access:Get full text
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Summary:Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P2 sub(1)2 sub(1)2 sub(1) (#19), with a = 7.362 554(12), b = 13.340 168(27), c = 16.701 887(33) Aa, V = 1640.421(5) Aa super(3), 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(TM).
ISSN:0885-7156
1945-7413
DOI:10.1017/S0885715614000517