Acta Cryst. (2006). E62, o4850-o4852  [ doi:10.1107/S1600536806039808 ]

The diketo form of (+)-(1R,4R)-3-benzoylcamphor

J. W. Seo and M. Niemeyer

Abstract: Molecules of the title compound, (+)-(1R,4R)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, C₁₇H₂₀O₂, crystallize in the diketo form. One of the carbonyl groups is involved in a weak intramolecular C-HO interaction [CO = 2.778 (3) Å]. 3-Benzoylcamphor is a rare example of a structurally characterized -diketone that crystallizes both in the diketo and the enol forms. According to density functional theory (DFT) calculations, the diketo tautomer is destabilized by 17.4 kJ mol^-1 over the previously reported [Niemeyer & Gan (2005). Acta Cryst. E61, o2363-o2365] enol form.

Online 7 October 2006

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