Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

im2434 scheme

Acta Cryst. (2013). E69, o1186    [ doi:10.1107/S160053681301725X ]

Methyl 3-[(chloromethoxy)carbonyloxy]-7-hydroxycholan-24-oate

J.-L. Zhong, W.-X. Sun, F.-L. Zhang, L.-H. Liu and H. Liu

Abstract: The title compound, C27H43ClO6, is a derivative of ursodeoxycholic acid, in which the OH group at the 3-position is substituted by a chloromethoxycarbonyloxy substituent and the carboxylic acid group at the 24-position is methylated. The A and B rings are cis-fused, while all other rings are trans-fused. In the crystal, two adjacent molecules located along the b-axis direction are interlocked head-to-tail due to weak C-H...O hydrogen bonds. Therefore each molecule is linked to four neighbouring molecules by four C-H...O hydrogen bonds, with the OH group at the 7-position and the carbonyl O atom of the ester group acting as the acceptor sites.

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