Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



rk2401 scheme

Acta Cryst. (2013). E69, o1096    [ doi:10.1107/S1600536813014451 ]

5,6-Dihydroxy-7,8-dimethoxyflavone

L.-L. Jing, X.-F. Fan, P.-C. Fan, L. He and Z.-P. Jia

Abstract: The title compound (systematic name: 5,6-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one), C17H14O6, is a flavone that was isolated from the petroleum ether-soluble fraction of the rare traditional Chinese medicinal herb Saussurea involucrata. The flavone molecule is almost planar, with a dihedral angle between the planes of the benzopyran-4-one group and the attached phenyl group of 1.89 (6)°. The 5-hydroxy group forms a strong intramolecular hydrogen bond with the carbonyl group, resulting in a six-membered hydrogen-bonded ring. The 6-hydroxy group also forms an intramolecular O-H...O contact. In the crystal, the molecules are linked by O-H...O and C-H...O hydrogen bonds and [pi]-[pi] interactions [3.37 (2)-3.39 (2) Å], which build up a three-dimensional network.


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