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

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—H⋯O inter­action [C⋯O = 2.778 (3) Å]. 3-Benzoyl­camphor is a rare example of a structurally characterized β-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.