Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure

Abstract

Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks.