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 - Université Toulouse III - Paul Sabatier - Toulouse INP Accéder directement au contenu
Article Dans Une Revue Acta crystallographica Section E : Crystallographic communications [2015-...] Année : 2016

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

Résumé

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)].

Dates et versions

hal-01927689 , version 1 (20-11-2018)

Identifiants

Citer

Ahmed Benzalim, Aziz Auhmani, My Youssef Ait Itto, Jean-Claude Daran, Auhmani Abdelwahed. 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 [2015-..], 2016, 72 (5), pp.709-711. ⟨10.1107/S2056989016006174⟩. ⟨hal-01927689⟩
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