X-ray crystallographic determination of the structure and conformation of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(3H)-naphthalenone

The crystal structure of 7-(1-acetoxy-1-methylethyl)-4a-methyl-octahydro-2(³H)-naphthalenone, C₁₆H₂₄O₃ has been determined by X-ray diffraction. The crystals are orthorhombic, P2₁2₁2₁,a=5.938(2),b=12.081(4),c=21.607(7) Å,Z=4. The structure was solved by direct methods, and refined to an R value of 0.062 for 1013 nonzero independent amplitudes. Ring A has the C(6) distorted sofa conformation whereas the B ring possesses the slightly deformed chair conformation. The side chain in the C(10) position is oriented in relation to the plane of the B ring.The nomenclature of IUPAC for the name of compound in the title is applied. However, for simplicity reason numbers of atoms in the paper follow Fig. 1.