Crystal structure of atomoxetine hydrochloride (Strattera), C_(17)H_(22)NOCl

摘要

Commercial atomoxetine hydrochloride crystallizes in the orthorhombic space group P2_12_12_1 (#19), with a = 7.362 554(12), b= 13.340 168(27), c= 16.701 887(33) A, V= 1640.421(5) A~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™.