Received 8 March 2013
The title compound, C20H21IO, was synthesized by cyclohaloetherification of 2-(cyclohex-2-enyl)-2,2-diphenylethanol in CH2Cl2, and crystallized with two independent molecules in the asymmetric unit. The six-membered cyclohexane ring adopts a chair conformation, while the five-membered ring adopts an envelope conformation with the fused C atom opposite the O atom as the flap in each case [displacements of the flap atoms = 0.6813 (3) and 0.6679 (3) Å]. In the crystal, molecules are linked via pairs of C-H interactions, forming inversion dimers.
For the title compound as a core structure of many drugs and natural products, see: Huang & Chen (2007); Trost et al. (2003). For the synthesis of 2-(cyclohex-2-enyl)-2,2-diphenylethanol, see: Brooner & Widenhoefer (2011).
Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG5298 ).
Financial support from Beijing Institute of Technology is acknowledged.
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Trost, B. M., Shen, H. C. & Surivet, J. (2003). Angew. Chem. Int. Ed. 42, 3943-3947.