The title compound, C14H14O4, a linear dihydrofuranocoumarin, was isolated from the bark of Aegle marmelos, a plant widely used in Ayurvedic system of medicine for the treatment of various ailments. The crystal structure was determined from X-ray diffraction data using direct methods. The compound crystallizes into monoclinic space group 𝑃21 with unit cell parameters: 𝑎 = 5.721(1) Å, 𝑏 = 13.810(1) Å, 𝑐 = 7.864(2) Å, 𝛽 = 100.39(1)°, 𝑍 = 2. The structure was refined by full-matrix least-squares to a final 𝑅 value of 0.0523 for 1184 observed reflections. The benzopyran moiety is perfectly planar. The dihedral angle between the pyrone and benzene rings is 0.3(1)°. The furan ring has a 2𝛼-envelope conformation. The molecules are linked by O–H…O hydrogen bonds into chains and these chains are linked into sheets by C–H…O hydrogen bonds. Further, the 𝜋−𝜋 stacking and C–H$\ldots\pi$(arene) interactions link all of the sheets into a supramolecular structure.
Volume 43, 2020
Continuous Article Publishing mode
Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020
Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020
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