Homoallylic coupling in 1,4-dihydronaphthalenes. Part 2. Crystal structure of cis-2a,5-dihydro-5-acenaphthoic acid

Abstract

The structure of the title compound (1) has been determined by direct methods from single-crystal X-ray diffractometer data. Crystals are triclinic, space group P, with Z= 2, in a cell with lattice parameters a= 8.446(4), b= 8.534(4), c= 8.940(3)Å. α= 122.95(4)°, β= 107.48(3)°, and γ= 70.32(3)°. 2 534 independent reflections gave a final R of 0.057. The dihydronaphthalene ring adopts a highly puckered boat conformation. Good agreement is found between interproton couplings predicted from the crystallographic structure and the experimental values.