Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



zs2258 scheme

Acta Cryst. (2013). E69, o1107    [ doi:10.1107/S1600536813016036 ]

O-Benzoylnaltrexone

R. Yang, G.-H. Wang, X.-L. Liu, D. Wang and X. Li

Abstract: In the title compound, C27H27NO5 (systematic name: 17-cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-6-yl benzoate), which is the benzoate ester of the opioid receptor antagonist naltrexone, the dihedral angle between the two phenyl rings is 77.1 (1)°. In the crystal, a weak aromatic C-H...Ocarboxyl hydrogen bond involving the benzoate groups of adjacent molecules gives rise to a chain extending along the a-axis direction. The known absolute configuration for the molecule was inferred from a previous naltrexone structure.


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