Crystal, mol-ecular structure and Hirshheld surface analysis of 5-hy-droxy-3,6,7,8-tetra-meth-oxy-flavone.

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 mol-ecule is almost planar, with a dihedral angle between the planes of the benzo-pyran-4-one group and the attached phenyl ring of 6.4 (4)°. The 5-hy-droxy group forms a strong intra-molecular hydrogen bond with the carbonyl group, resulting in a six-membered hydrogen-bonded ring. The crystal structure has triclinic (P ) symmetry. In the crystal, the mol-ecules are linked by C-H⋯O 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 H⋯H (53.9%) and H⋯O/O⋯H (20.9%) inter-actions.

SUBMITTER: Aisa HA 

PROVIDER: S-EPMC7643244 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature