Synthesis and Structure of Ethyl 2-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]benzoate

抄録

The structure of ethyl-2-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]benzoate was determined by single-crystal X-ray crystallography. The compound crystallizes in the triclinic crystal system, space group P1 with cell constants: a = 9.4098(5)Å, b = 9.5848(5)Å, c = 12.8982(7)Å, α = 78.556(3)°, β = 86.524(3)°, γ = 72.310(3)°; V = 1086.26(10)ų, Z = 2. In the title compound, one intramolecular hydrogen bond is formed between the hydroxy group of one coumarin unit and the carbonyl group of the second one; the remaining hydroxy group as well as the carbonyl oxygen atom of the benzoate group are involved in intermolecular hydrogen bonding to the corresponding groups of a neighbouring biscoumarin molecule.