Estudo da estrutura cristalina de chalconas metoxiladas com polimorfismo molecular

Abstract

Chalcones constitute an important group of natural or synthetic products, common by found in plants, that have received a great attention due to their relatively simple structure, and wide variety of pharmacological reported activities. This work presents some fundamental concepts of X-ray crystallography, the steps of crystallographic methodology and knowledge of molecular polymorphism. Crystallography is a scientific methodology that allows to know the structure of any crystalline chemical compound without any a priori information. Polymorphism may be defined as the ability of a compound to exist in multiple solid state structures that, with pharmaceutics products, this phenomenon can impact on pharmacotechnical and pharmacokinetic features of drugs.This work also presents the structure elucidation of three organic compound of chalcone reported here for the first time. The compound C19H20O5 has no planar conformation. The packing of the compound is formed by dimeric supramolecular arrangement coordinated by two intermolecular C-H…O hydrogen bonds. The compound C18H18O4 was crystallized as yellow prismatic crystal. The structure analysis revealed two molecules of C18H18O4 in the asymmetric unit plus two molecules of solvent linked by a hydrogen bonding in one unit cell. The crystal packing is stabilized by coordinated action of ten hydrogen bonds. The compound C18H18O3 crystallized as yellow prismatic crystal, but adopts the packing order of infinity chains. The structure has a C-H…O intra-molecular interaction. The crystal packing features C-H…O interactions.