Sesquiterpenoids. Part V. The stereochemistry of acorone: X-ray analysis of acorone p-bromophenylsulphonylhydrazone

Abstract

Crystals of acorone p-bromophenylsulphonylhydrazone are monoclinic, space group P2₁(C₂²), with two molecules of C₂₁H₂₉N₂BrSO₃ in a unit cell of dimensions a= 11·45, b= 9·95, c= 11·03 Å, β= 109° 15′. An X-ray crystal-structure determination has established its stereochemistry. The cyclohexane ring adopts the chair conformation with the methyl group at C(8) axial. The atomic parameters were refined by Fourier and least-squares methods and the final discrepancy, R, over 1453 observed reflexions is 14·5%.