Search results for "Chelidonic acid"

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Experimental and theoretical characterization of chelidonic acid structure

2022

Abstract Chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) is present in plants of Papaveraceae family, especially in Chelidonium majus. Due to its anticancer, antibacterial, hepatoprotective, and antioxidant properties, it has been used in medical treatments. In this work, the X-ray structure of methanol solvate of chelidonic acid was determined. Layers of chelidonic acid are held by hydrogen bonds via COOH and C = O fragments and additionally bridged by methanol. The formed H-bond network between two acid units is different from typical –COOH dimers observed, e.g., in crystals of isophtalic acid. The molecular structure of 2,6-dimethyl-γ-pyrone (2Me4PN) and chelidonic acid, a 2,6-dic…

Dipole momentNBO chargesChelidonic acid2γ-Pyrone (4PN)6-Dimethyl-γ-pyrone (2Me4PN)Physical and Theoretical ChemistryCondensed Matter PhysicsDFTMolecular structureStructural Chemistry

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