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Abstract
The title compound, C16H23Br3, was synthesized from β-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 is built up from fused six- and seven-membered rings and an additional three-membered ring from the reaction of himachalene with dibromocarbene. The six-membered ring has an envelope conformation (the flap atom being the C atom shared with the three-membered ring, whereas the seven-membered ring displays a screw boat conformation; the dihedral angle between the rings (defined by the near coplanar atoms) is 56.5 (2)°.
Highlights
Structure Reports OnlineKey indicators: single-crystal X-ray study; T = 180 K; mean (C–C) = 0.006 A; R factor = 0.034; wR factor = 0.075; data-to-parameter ratio = 19.7
The title compound, C16H23Br3, was synthesized from himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1Hbenzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica)
The six-membered ring has an envelope conformation (the flap atom being the C atom shared with the three-membered ring, whereas the sevenmembered ring displays a screw boat conformation; the dihedral angle between the rings is 56.5 (2)
Summary
Key indicators: single-crystal X-ray study; T = 180 K; mean (C–C) = 0.006 A; R factor = 0.034; wR factor = 0.075; data-to-parameter ratio = 19.7. The title compound, C16H23Br3, was synthesized from himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1Hbenzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The molecule is built up from fused six- and seven-membered rings and an additional three-membered ring from the reaction of himachalene with dibromocarbene. The six-membered ring has an envelope conformation (the flap atom being the C atom shared with the three-membered ring, whereas the sevenmembered ring displays a screw boat conformation; the dihedral angle between the rings (defined by the near coplanar atoms) is 56.5 (2)
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