Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

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


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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