Crystal structure analysis of 4-(3'-hydroxy-2', 3'-dihydro-benzobfuran-2-yl)-7-methylcoumarin

摘要

The compound crystallizes in the triclinic crystal system with space group P-1 having unit cell parameters: a=7.174(1), b=9.376(2) and c=10.325(2) A. The crystal structure was solved by direct method using single crystal x-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0577 for 2429 observed reflections. The benzoppyran moiety is planar, with dihedral angle between the two fused rings of 1.82(5)°. The planarity of the benzoppyran moiety confirms the aromatic character of this system. The confirmation of five membered ring C is envelop. The crystal packing is influenced by O-H...O hydrogen bonds, and weak C-H...O, C-H...π and π...π interactions.