Crystal structure determination from powder diffraction data of the coumarin vanillin chalcone

摘要

4-hydroxy-3-methoxyphenyl-4-hydroxycoumarin chalcone (C_(19)H_(14)O_6) was synthesized by the Claisen-Schmidt reaction with the condensation of 3-acetyl-4-hydroxycoumarin with 4-hydroxy-3-methoxybenzaldehyde (vanillin). The new compound was characterized by Fourier transform infrared microscopy, UV-vis ~1H, and ~(13)C NMR spectroscopy and its crystal structure was ab initio determined from laboratory X-ray powder diffraction data. The crystal structure is monoclinic with unit-cell parameters a=14.3181(4), b = 8.04071(9), c= 13.5524(3), β = 100.3559(13)°, V= 1534.84(6) A~3, and space group P2_1/c.