Title of article :
Crystal, molecular structure and Hirshheld surface analysis of 5-hydroxy-3,6,7,8-tetramethoxyflavone
Author/Authors :
Aisa, Haji Akber Key Laboratory of Plants Resources and Chemistry of Arid Zone, Xinjiang, Technical Institute of Physics and Chemistry - Chinese Academy of Science, People's Republic of China , Izotova, Lidiya Institute of Bioorganic Chemistry, UzAS, Uzbekistan , Karimov, Abdurashid Institute of the Chemistry of Plant Substances, UzAS, Uzbekistan , Botirov, Erkin Institute of the Chemistry of Plant Substances, UzAS, Uzbekistan , Mamadrahimov, Azimjon Institute of Bioorganic Chemistry, UzAS, Uzbekistan , Ibragimov, Bahtiyar Institute of Bioorganic Chemistry, UzAS, Uzbekistan
Abstract :
The title compound (systematic name: 5-hydroxy-3,6,7,8-tetramethoxy-2-
phenyl-4H-chromen-4-one), C19H18O7, is a flavone that was isolated from a
butanol extract of the herb Scutellaria nepetoides M. Pop. The flavone molecule
is almost planar, with a dihedral angle between the planes of the benzopyran-4-
one group and the attached phenyl ring of 6.4 (4). The 5-hydroxy group forms a
strong intramolecular hydrogen bond with the carbonyl group, resulting in a sixmembered hydrogen-bonded ring. The crystal structure has triclinic (P1)
symmetry. In the crystal, the molecules are linked by C—HO hydrogen bonds
into a two dimensional network parallel to the ab plane. The Hirshfeld surface
analysis indicates that the most important contributions to the crystal packing
are from HH (53.9%) and HO/OH (20.9%) interactions.
Keywords :
crystal structure , flavones , hydrogen bonding , Hirshfeld surface analysis
