Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.005 Å R factor = 0.049 wR factor = 0.138 Data-to-parameter ratio = 13.7For details of how these key indicators were automatically derived from the article, see
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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