A new synthetic route and comprehensive topological study of a benzimidazole derivative

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dc.creatorSilva, Vitor Santos
dc.creatorNaves, Raquel Ferreira
dc.creatorBortoluzzi, Adailton João
dc.creatorFaria, Eduardo Coelho da Mata
dc.creatorMagalhães, Aline da Silva
dc.creatorOliveira, Guilherme Roberto de
dc.creatorAlonso, Christian Gonçalves
dc.creatorNapolitano, Hamilton Barbosa
dc.date.accessioned2023-10-20T19:58:57Z
dc.date.available2023-10-20T19:58:57Z
dc.date.issued2022
dc.description.abstractBenzimidazole and its derivatives are molecules that have diverse biological properties, therefore we synthesized and studied a new benzimidazole to understand their physical/chemical properties. The compound was obtained through a new synthetic route, using graphite oxide, in the absence of solvent, with crystalline packaging supported by C–H…N and C–H…π interactions. According to the frontier molecular orbitals, the compound is kinetically stable while the molecular electrostatic potential map confirms the site of molecular interactions involving nitrogen atoms and the π-system. This comprehensive study on synthesis, structural description and theoretical calculations can support ongoing studies in pharmaceutical science.
dc.identifier.citationDUARTE, Vitor S. et al. A new synthetic route and comprehensive topological study of a benzimidazole derivative. Journal of the Brazilian Chemical Society, Campinas, v. 33, n. 3, p. 291-302, 2022. DOI: 10.21577/0103-5053.20210149. Disponível em: https://jbcs.sbq.org.br/default.asp?ed=324. Acesso em: 29 set. 2023.
dc.identifier.doi10.21577/0103-5053.20210149
dc.identifier.issne- 1678-4790
dc.identifier.issn0103-5053
dc.identifier.urihttp://repositorio.bc.ufg.br//handle/ri/23644
dc.language.isoeng
dc.publisher.countryBrasil
dc.publisher.departmentInstituto de Química - IQ (RMG)
dc.rightsAcesso Aberto
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectBenzimidazole derivative
dc.subjectX-ray diffraction
dc.subjectSupramolecular arrangement
dc.subjectQTAIM analysis
dc.titleA new synthetic route and comprehensive topological study of a benzimidazole derivative
dc.typeArtigo

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