A novel structure of secondary alcohol derived from (+)-Δ³-carene with pseudo three-fold symmetry

Abstract

The crystal structure of C₁₂OH₂₀ (lR-6R-4R-2 R-3,7,7-trimethyl-4-(2-hydroxyethyl) bicyclo [4.1.0] hept-2-ene) has been determined by X-ray diffraction. The compound crystallizes in space group P2₁2₁2₁ witha = 5.893(1),b = 22.572(2), c = 26.164(3) Å,V = 3480.3 ų, Z= 12. The structure was solved by modified direct methods and refined to anR value of 0.081 for 607 unique reflections. Each asymmetric unit has three molecules which are held together through intermolecular hydrogen bonds resulting in a novel spiral-type arrangement of molecules. The six-membered ring has a half-chair conformation.