Acta crystallographica. Section B: Structural crystallography and crystal chemistry p. 646 - 648 (1982)
Update date:2022-08-05
Topics:
Roques, R.
Bertrand, Ch.
Labruyere, F.
Declercq, J. P.
Germain, G.
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 (-3o).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.
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