Crystal structure of dutasteride (Avodart), C27H20F6N2O2. Issue 3 (13th August 2014) - Kaduk, James A.
Abstract : Commercial dutasteride crystallizes in the orthorhombic space group P 21 21 21 (#19), with a = 7.587 44(3), b = 9.960 80(5), c = 33.500 42(12) Å, V = 2531.862(17) Å 3, and Z = 4. The structure was solved and refined using synchrotron powder diffraction data, Rietveld, and density functional techniques. The most prominent feature of the structure is a zigzag chain of strong N–H···O = C hydrogen bonds along the a -axis. The powder pattern has been submitted to ICDD for inclusion in future releases of the Powder Diffraction File™.