M. Sorianogarcia et al., STRUCTURE OF THYLTRICYCLO[7.3.1.02,7]TRIDECA-2,4,6-TRIEN-13-ONE, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 2140-2141
This X-ray diffraction study establishes the molecular structure of th
e title compound. The carbon skeleton of the molecule comprises a syst
em of three six-membered rings, A, B and C; A is aromatic and almost p
lanar. The A and B rings are cis-fused. The A, B and C rings adopt twi
st-chair 3T1, envelope 6E and chair C-4(1) conformations, respectively
. The C ring hydroxyl and methyl groups occupy axial and equatorial po
sitions, respectively. The crystal structure is stabilized by an inter
molecular hydrogen bond and two C-H...O hydrogen-bond interactions.