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Pomiferin
Jaromír Marek1, Dagmar Veselá, Margita Lisková
1Laboratory of Functional Genomics and Proteomics, Faculty of Science, Masaryk University, Kotlárská 2, CZ-611 37 Brno, Czech Republic. marek@chemi.muni.cz
Summary
The crystal structure of the natural compound pomiferin was determined. This study reveals its molecular arrangement and stabilization through hydrogen bonds.
Area of Science:
- Natural Product Chemistry
- Crystallography
- Organic Chemistry
Background:
- Pomiferin is a prenylated isoflavonoid found in plants.
- Understanding the crystal structure of natural products is crucial for structure-activity relationship studies.
Purpose of the Study:
- To determine the precise three-dimensional crystal structure of pomiferin.
- To elucidate the molecular conformation and intermolecular interactions within the pomiferin crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed.
- The crystal structure was solved and refined to atomic resolution.
Main Results:
- The crystal structure of pomiferin (C(25)H(24)O(6)) was successfully determined.
- The benzopyranone ring system exhibits near planarity, with a dihedral angle of 40.85 (4) degrees between the phenyl ring and the benzopyranone moiety.
- A one-dimensional chain of inter- and intramolecular O-H...O hydrogen bonds (O...O distances: 2.5546–2.7999 Å) stabilizes the crystal structure.
Conclusions:
- The determined crystal structure provides detailed insights into the solid-state arrangement of pomiferin.
- The hydrogen bonding network plays a significant role in the crystal packing and stability of pomiferin.