The structure of the π-molecular complex between 1,4-dihydro-9,10-anthrahydroquinone and 1,4-dihydro-9,10-anthraquinone

Abstract

The structure of the π-molecular complex (10) was assigned on the basis of the solid state ¹³C-nmr spectrum. The solid state ¹³nmr spectrum of quinhydrone (12) has also been determined. Accurate ¹H and ¹³C chemical shift assignments have been made for the compounds3,5,6,7,8, and10 on the basis of HMQC and HMBC spectral data. The π-molecular complex10 crystallizes in the space group P2₁ In with cell parameters:a=4.052 (1) Å,b=6.477 (1) Å,c=19.093 (2) Å, β=90.17 (1)^o,z=1,D _c =1.400 g mc^-32. Crystal and molecular structure of the title compound, C₂₈H₂₂O₄, has been determined by an X-ray analysis of10 by direct methods from diffractometer data and refined by full-matrix least-squares.