Análise cristalográfica da etoxi chalcona fluorada C17H15O2F

Abstract

Chalcones are an important class of flavonoids and possess interesting biological activities, in particular fluorinated chalcones to possess anticarcinogenic action. The replacement of a C−H bond or C−C−OH of F is common in biologically active compounds as such substitutions result in a change in the physicochemical properties of the molecule without, however, produce more steric changes. This design attempts to elucidate the molecular C17H15O2F from the mixture of 4-fluoro-acetophenone with 4-fluorbenzaldehyde and NaOH. It was used in the analysis of the molecule crystallography as scientific method in order to know the molecular and crystal structure by X-ray diffraction, and to understand the problem we used the conformation Density Functional Theory (DFT). Thus this study presents a new fluorinated chalcone with Z'>1 (α and β conformations). The structure is similar to chalcone C17H15O2F chalcones structures that exhibit biological activity anticarcinogenic.