Crystal Structure of 4-Hydroxy-3-[(2-oxo-2H-chromen-3-yl)-(3,4-dihydroxyphenyl)methyl]chromen-2-one-ethanol solvate

抄録

The structure of 4-hydroxy-3-[(2-oxo-2H-chromen-3-yl)-(3,4-dihydroxyphenyl)-methyl]-chromen-2-one-ethanol solvate was determined by single crystal X-ray crystallography. The compound crystallizes as colourless prisms in the monoclinic crystal system, space group P2₁/n with cell constants: a = 11.6002(11)Å, b = 10.1208(10)Å, c = 19.2221(19)Å, β = 96.659(5)°, V = 2241.5(4)ų, Z = 4. The 4-hydroxycoumarin fragments form intramolecular hydrogen bonds between hydroxy and carbonyl groups, whereas intermolecular hydrogen bonds connect two molecules via the hydroxy group of an ethanol molecule of the solvent. π-π stacking is observed between the 3,4-dihydroxyphenyl unit of a distinct molecule and two 4-hydroxycoumarin units of corresponding neighbours.