Crystal structure of atomoxetine hydrochloride (Strattera), C17H22NOCI

Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P2(1)2(1)2(1) (#19), with a=7.362 554(12), b=13.340 168(27), c=16.701 887(33) angstrom, V=1640.421(5) angstrom(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 center dot center dot center dot 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). (C) 2014 International Centre for Diffraction Data.