Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


organic compounds



fj2620 scheme

Acta Cryst. (2013). E69, o521-o522    [ doi:10.1107/S1600536813006077 ]

(1S,3R,8R,9R,10S)-2,2-Dibromo-3,7,7,10-tetramethyl-9[beta],10[beta]-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecane

A. Oukhrib, A. Benharref, M. Saadi, M. Berraho and L. El Ammari

Abstract: The title compound, C16H24Br2O, was synthesized from [beta]-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus atlantica). The molecule contains fused six- and seven-membered rings, each linked to a three-membered ring. The six-membered ring has a half-chair conformation, while the seven-membered ring displays a chair conformation. The dihedral angle between the mean planes through the six- and seven-membered rings is 39.55 (12)°. The two three-membered rings, linked to the six- and seven-membered rings, are nearly perpendicular to the six-membered ring, making dihedral angles of 78.6 (2) and 80.5 (2)°, respectively. The absolute structure was established unambiguously from anomalous dispersion effects. In the crystal, each molecule is linked to its symmetry-equivalent partner by C-H...O hydrogen bonds, forming zigzag chains parallel to [100].


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