Caracterização estrutural de duas azinas assimétricas e de um polimorfo do fármaco Nimodipino

• Ano de defesa: 2015
• Autor(a) principal: Santos, Thalita Natali Salamão dos
• Orientador(a): Napolitano, Hamilton Barbosa
• Banca de defesa: Napolitano, Hamilton Barbosa, Oliveira, Solemar Silva, Santos Júnior, Sauli dos
• Tipo de documento: Dissertação
• Tipo de acesso: Acesso aberto
• Idioma: por
• Instituição de defesa: Universidade Estadual de Goiás
• Programa de Pós-Graduação: Programa de Pós-Graduação Stricto sensu em Ciências Moleculares
• Departamento: UEG ::Coordenação de Mestrado Ciências Moleculares
• País: Brasil
• Palavras-chave em Português: Azinas assimétricas; Cristalografia; Nimodipino
• Palavras-chave em Inglês: Asymmetrical azines; Crystallography; Nimodipine
• Área do conhecimento CNPq: CIENCIAS EXATAS E DA TERRA::QUIMICA; QUIMICA::FISICO-QUIMICA
• Link de acesso: http://www.bdtd.ueg.br/handle/tede/690

With the goal of studying the structure cristaline, the intramolecular and intermolecular interaction, bonds hydrogen, bonds angles and torsion angles, which are important for the possible pharmacological activity, was used the crystallographic X ray diffraction, methodology that allows the construction of the electron density of a molecule without any knowledge, requiring only the diffraction pattern obtained in data collection. This work describes the structural characterization of two asymmetrical azines, the C16H15N3O3 (8E,9E)-1-(4-methoxybenzylidene)-2-(1-(4- nitrophenyl) ethylidene) and C17H17N3O3 (8E,9E)-1-(4-etoxybenzylidene)-2-(1-(4- nitrophenyl) ethylidene), and polymorphic form of nimodipine drug pharmaceutical. The presence of the azometine group in both azines study, reveals the existence of a low torsion barrier, which can be related to the presence of a pair of independent confomers for azine disorder C16H15N3O3. It has throughout its molecular arrangement, intermolecular interactions of nonclassical type hydrogen bond CH…O, than can aid in the packaging of the molecule in the crystal lattice and interfere intermolecular conformation. The nimodipine drug is presented in the literature in two polymorphic forms called Mod I and Mod II, wherein the study drug belonging to Mod I, with monoclinic crystal system and space group P21/c, with this polymorphic form is indicated for the medicament production process because its greateer solubility. Show intermolecular interaction of hydrogen bond type classical N-H…O and C-H…O the nonclassical, which the solubility of this compound.