Estudo cristaloquímico de um derivado do Lapachol e de um derivado de N-Sulfonamida, utilizando a difração de raios X

Abstract

The content of this work, divided into four chapters, is facing a crystallochemical study of a derivative of lapachol and one derivatives N-Sulfonamida, here called 3-Iodo-β-lapachone (3198), LASSBio 959. In chapter 1 is made a brief comment on the drug market, as well as a summary involving Chagas disease, asthma and the importance of the studied compounds. The study was conducted in order to characterize one quinone and N-sulfonamide (molecular conformation and crystallochemical packaging), possible drug candidates for diseases mentioned derivative. The theoretical foundation, without which the work could not be done, much less understood is contained in Chapter 2. The method used in this work is based on the X-ray diffraction by monocrystalline sample and condensed in Chapter 3. The goal of Chapter 4 is focused the results and interpretation. These results are summarized below. The compound 3198 called crystallizes in monoclinic system, P21/c, with parameters a = 12.2739(3)Å, b = 8.1762(2)Å and c = 14.3995(3)Å; β = 107.2260(1)º, Z = 4 molecules / cell. The final disagreement factor R was 0.0393 for the reflexions considered observed and 0.0668 for all the reflexions. The LASSBio 959 crystallizes in the monoclinic system P21 / c, with parameters a = 9,3208(2) Å, b = 28.3330(2)Å and c = 7.5188(1)Å; β=107.412(1), Z = 4 molecules / cell. The final disagreement factor R was 0,0505 for the reflexions considered observed and 0,0778 for all the reflexions. The analysis of experimental data showed good agreement with published data for compounds similar to those studied here. They were also important to validate structural models obtained by other methods performed by laboratories (NPPN and LASSBio) for the target compounds of this dissertation.