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

Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P 2 1 2 1 2 1 (#19), with a = 7.362 554(12), b = 13.340 168(27), c = 16.701 887(33) Å, V = 1640.421(5) Å 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™.