The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one

The synthesis, crystal structure and spectroscopic analysis of (E)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(4-chlorophenyl)prop-2-en-1-one (C17H13ClO3), a substituted chalcone, are described. The overall geometry of the molecule is largely planar (r.m.s. deviation = 0.1742   Å ), but slightly kinked, leading to a dihedral angle between the planes of the benzene rings at either side of the molecule of 8.31   (9) ° . In the crystal, only weak interactions determine the packing motifs. These include C — H...O and C — H...Cl hydrogen bonds and π – π overlap of aromatic rings.

Source: Acta Crystallographica Section E - June 30, 2023 Category: Chemistry Authors: Vinaya Richard, A.S. Murthy, S.M. Basavaraju, Y.B. Yathirajan, H.S. Parkin, S. Tags: crystal structure chalcone π – interaction research communications Source Type: research