Issue 0, 1969

Sesquiterpenoids. Part VIII. Stereochemistry of santonin: X-ray analysis of 2-bromo-β-santonin

Abstract

Crystals of 2-bromo-β-santonin are orthorhombic, of space group P212121, with four molecules of C15H17BrO3 in a unit cell of dimensions a= 7·50, b= 12·43, c= 15·41 Å. The atomic co-ordinates were determined by Fourier and least-squares calculations, and the final value of R over 1389 independent reflexions is 8·4%. The bond lengths and valency angles do not differ significantly from those of 2-bromo-α-santonin, but the C(13)⋯ C(6) and C(13)⋯ C(8) intramolecular separations (3·17 and 3·07 Å) are distinctly smaller than those in the α-isomer (3·79 and 3·49 Å).

Article information

Article type
Paper

J. Chem. Soc. B, 1969, 237-242

Sesquiterpenoids. Part VIII. Stereochemistry of santonin: X-ray analysis of 2-bromo-β-santonin

P. Coggon and G. A. Sim, J. Chem. Soc. B, 1969, 237 DOI: 10.1039/J29690000237

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