Determination de la Structure et Configuration Absolue du p-Chlorobenzylidene-2 Epicamphre-(-)-(Z)

Article abstract of DOI:10.1107/S0567740882003653

C17H19ClO, orthorhombic, P2₁2₁2₁, a = 11.587(7), b = 11.234(5), c = 11.021(7) Angstroem, V = 1435 Angstroem³, Z = 4.The structure was solved by direct methods (R = 0.071 for 1126 observed reflexions).The molecule adopts the Z configuration suggested by electronic-spectra, NMR and dipole-moment studies.The conjugated system O=C-C=C is not completely planar but slightly skewed in the sense of a left-handed helix (-3^o).The vicinity of the O atom of the carbonyl group and the ortho H atom of the benzene ring (2.03 Angstroem) implies some kind of bond (or interaction) between the orbitals of these two atoms.