Aplicação da difração de raios X por monocristais na caracterização de insumos farmacêuticos ativos

Single-crystal X-ray diffraction is an especially important technique in the characterization of new crystalline compounds. It allows the description of the lengths and angles of chemical bonds as well as the intermolecular interactions, which are responsible for solid-state stabilization. Thus, it is a technique of great relevance in the identification and characterization of active pharmaceutical ingredients (APIs) since the crystalline arrangement changes can modify the physicochemical properties of the drugs. In this sense, the Hirshfeld surface and fingerprint plots are effective tools in the investigation of qualitative and quantitative analysis of intermolecular interactions. These tools allow to identify the main differences among various crystalline solid forms and can be associated with properties of pharmaceutical interest such as solubility and stability. The investigation, as well as the adequate monitoring and management of crystalline forms in solid-state by X-ray diffraction, are means of ensuring the quality and safety of the medication to be dispensed to the population.