Acta Crystallographica, Section C: Crystal Structure Communications 2003-04-01

The fungal metabolite austdiol.

Leonardo Lo Presti, Raffaella Soave, Riccardo Destro

文献索引:Acta Crystallogr. C 59(Pt 4) , O199-201, (2003)

全文:HTML全文

摘要

The title compound, (7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde, C(12)H(12)O(5), is a trans-vicinal diol. Of the two fused rings, which lie approximately in the same plane, the pyran ring is almost perfectly planar, while the cyclohexenone ring adopts a slightly distorted half-chair conformation. The crystal packing is dictated by two strong intermolecular O-H.O interactions, one involving hydroxy and keto groups, the other involving two hydroxy groups. Molecules are linked together through twofold axes, forming zigzag ribbons extended along the a axis.


相关化合物

  • 6H-2-Benzopyran-5...

相关文献:

On the interplay between CH...O and OH...O interactions in determining crystal packing and molecular conformation: an experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5).

2006-03-30

[J. Phys. Chem. B 110(12) , 6405-14, (2006)]

更多文献...