【摘 要】
：
The crystal structure of 7α-[(R)-1-hydroxyl-1-methyl-3-(thien-2-yl)propyl]-6,14-endoethanotetrahydro thebaine (C29H37NO4S, Mr = 495.66) has been determined by
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The crystal structure of 7α-[(R)-1-hydroxyl-1-methyl-3-(thien-2-yl)propyl]-6,14-endoethanotetrahydro thebaine (C29H37NO4S, Mr = 495.66) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs orthorhombic, space group P212121 with a = 10.063(4), b = 12.571(5), c = 19.626(8) (A), V = 2482.9(17) (A)3, Z = 4, Dc = 1.326 g/cm3,μ = 0.167 mm-1, F(000) = 1064, the final R = 0.0537 and wR = 0.0888. The C(7) substituent is 1-hydroxyl-1-methyl-3-(thienyl-2-)propyl group adopting R-configuration. The N-methyl group is located at the equatorial position as expected. The crystal structure shows the presence of intra-molecular hydrogen bonds,O(1)-H(1 )…O(2).
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