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Crystal structure of dutasteride (Avodart), C27H20F6N2O2

  • James A. Kaduk (a1), Cyrus E. Crowder (a2), Kai Zhong (a2), Timothy G. Fawcett (a2) and Matthew R. Suchomel (a3)...

Abstract

Commercial dutasteride crystallizes in the orthorhombic space group P212121 (#19), with a = 7.587 44(3), b = 9.960 80(5), c = 33.500 42(12) Å, V = 2531.862(17) Å3, 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™.

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a) Author to whom correspondence should be addressed. Electronic mail: kaduk@polycrystallography.com

References

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Crystal structure of dutasteride (Avodart), C27H20F6N2O2

  • James A. Kaduk (a1), Cyrus E. Crowder (a2), Kai Zhong (a2), Timothy G. Fawcett (a2) and Matthew R. Suchomel (a3)...

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