Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 6 (June 2002)

organic compounds

sk1544 scheme

Acta Cryst. (2002). C58, o362-o364    [ doi:10.1107/S0108270102006443 ]

(1R)-2-[(3R,4S)-3-Methyl-4-(N-phenyl-N-propionyl­amino)­piperidin-1-yl]-1-phenyl­ethyl p-bromo­benzoate and N-{(3R,4S)-1-[(2S)-2-(4-bromo­phenyl)-2-hydroxy­ethyl]-3-methyl-piperidin-4-yl}-N-phenyl­acryl­amide

J. R. Deschamps, C. George and J. L. Flippen-Anderson

Abstract: Both title compounds, C30H33BrN2O3 and C23H27BrN2O2, respectively, are brominated derivatives of the potent opioid cis-[beta]-hydroxy-3-methyl­fentanyl (ohmefentanyl). Ohmefentanyl has three asymmetric C atoms and, therefore, has eight possible stereoisomers. The absolute configurations of the title compounds were determined to assign the proper configuration of two of these stereoisomers and the compounds have the same stereochemistry at two of the three asymmetric C atoms.

Formula: C30H33BrN2O3 and C23H27BrN2O2

hkldisplay filedownload file

Structure factor file (CIF format) (363.0 kbytes)
[ doi:10.1107/S0108270102006443/sk1544IIsup2.hkl ]
Contains datablock II

hkldisplay filedownload file

Structure factor file (CIF format) (176.8 kbytes)
[ doi:10.1107/S0108270102006443/sk1544IIIsup3.hkl ]
Contains datablock III


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