Crystal structure of (2E)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate

Abstract

The title compound, C17H11BrO2·H2O, crystallizes as a monohydrate in the chiral orthorhombic space groupP212121, and has non-linear optical (NLO) properties. The molecule has anEconformation about the C=C bond and is relatively planar with the benzofuran and bromophenyl rings being inclined to one another by 10.60 (14)°. In the crystal, the water molecule is linked to the organic molecule by O—H...O hydrogen bonds, forming anR22(7) ring motif while C—H...O hydrogen bonds lead to the formation of helices along theb-axis direction.