Crystal structure of (1S,3R,8R,10S)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-9-one

Acta Crystallographica Section E: Crystallographic Communications

Jean-Claude Daran¹  My Youssef Ait Itto²  Auhmani Abdelwahed²  Ahmed Benzalim²  Aziz Auhmani² 

[1] Laboratoire de Chimie de Coordination, CNRS UPR8241, 205 route de Narbonne, 31077 Toulouse Cedex 04, France;Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco;

关键词: crystal structure;    α-hydroxyketone;    asymmetric synthesis;    natural products;    absolute configuration;    hydrogen bonding;   

DOI  :  10.1107/S2056989016006174

来源: DOAJ

【 摘 要 】

The asymmetric unit of the title compound, C16H24Cl2O2, contains two independent molecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclohexyl ring bearing a ketone and an alcohol group, and a cyclopropane ring bearing two Cl atoms. In the crystal, the two molecules are linked via two O—H...O hydrogen bonds, forming an A–B dimer with an R22(10) ring motif. The A molecules of these dimers are linked via a C—H...O hydrogen bond, forming chains propagating along the a-axis direction. Both molecules have the same absolute configuration, i.e. 1S,3R,8R,10S, which is based on the synthetic pathway and further confirmed by resonant scattering [Flack parameter = 0.03 (5)].

【 授权许可】

Unknown