Structure of the flavone hymenoxin

Area of Science:

• Crystallography and Molecular Structure
• Organic Chemistry
• Flavonoid Chemistry

Background:

• Flavonoids are a diverse class of natural products with significant biological activities.
• Understanding the precise three-dimensional structure of flavonoids is crucial for structure-activity relationship studies.
• Chromone derivatives, a subclass of flavonoids, are of interest due to their varied pharmacological properties.

Purpose of the Study:

• To elucidate the detailed crystal structure of 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one.
• To analyze the planarity, conformation, and intermolecular interactions of the title compound.
• To provide crystallographic data for this specific flavonoid derivative.

Main Methods:

• Single-crystal X-ray diffraction analysis was performed on the compound.
• The crystal structure was solved and refined using standard crystallographic techniques.
• Unit cell parameters, atomic coordinates, and bond lengths/angles were determined.

Main Results:

• The crystal structure of 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-4H-chromen-4-one (C19H18O8) was determined.
• The molecule exhibits a nearly planar AB ring system and a planar C ring, with an interplanar angle of 4.4(4) degrees.
• Intramolecular hydrogen bonding between the carbonyl group and O(5), and intermolecular hydrogen bonding with an adjacent molecule via O(7) were observed.

Conclusions:

• The crystallographic data provides precise structural information on this dimethoxy-substituted dihydroxy chromone.
• The observed hydrogen bonding patterns are important for understanding crystal packing and potential intermolecular interactions in related compounds.
• This structural characterization contributes to the broader knowledge base of flavonoid crystallography.