Crystal Structure of 3-(2-Chloro-6-fluorophenyl)-2-(4-methoxyphenyl)-acrylonitrile

Abstract

A new dipolarophile, used in the construction of bioactive heterocycles, 3-(2-chloro-6-fluoro phenyl)-2-(4-methoxyphenyl)acrylonitrile, C₁₆H₁₁ClFNO, was synthesized by the base-catalyzed reaction of 2-chloro-6-fluorobenzaldehyde with (4-methoxyphenyl)acetonitrile. The compound crystallizes in the orthorhombic space group Pca2₁ with cell parameters a = 29.1430(3)Å, b = 4.1290(16)Å, c = 11.205(4)Å, Z = 4. The structure exhibits intermolecular hydrogen bond of the type C-H…N.