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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/41937
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dc.creatorMaria Betânia de Freitas Marquespt_BR
dc.creatorMaria Irene Yoshidapt_BR
dc.creatorChristian Fernandespt_BR
dc.creatorBernardo Lages Rodriguespt_BR
dc.creatorWagner da Nova Musselpt_BR
dc.date.accessioned2022-05-24T21:34:21Z-
dc.date.available2022-05-24T21:34:21Z-
dc.date.issued2020-
dc.citation.volume61pt_BR
dc.citation.issue1pt_BR
dc.citation.spage151pt_BR
dc.citation.epage159pt_BR
dc.identifier.doi10.26902/JSC_id51740pt_BR
dc.identifier.issn0022-4766pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/41937-
dc.description.resumoLumefantrine is an antimalarial drug and its crystal structure is still absent in the CCDC database. The authors propose a method to obtain the single crystal of this compound and characterize it by single crystal X-ray diffraction (XRD), FTIR, and thermal analysis. Intermolecular interactions are rationalized using the Hirshfeld surface analysis. Ethanol and dichloromethane (1:1 v/v) are used to crystallize the single crystals. The compound crystallizes in the space group P21 with a = 8.7830(11) Å, b = 9.4326(7) Å, c = 15.8299(16) Å, and β = 95.560(9)°, with two molecules in each unit cell. CIF fully simulates the PXRD results. The measured characteristic IR absorption bands belong to the pure material. The single crystal melting point is 128.6 °C (Tonset); the heat of fusion (ΔHfus) is 73.2 J/g, and the thermal degradation process starts at 219 °C, which is confirmed by two steps of the mass loss in the thermogravimetry curve. The CCDC deposit number is 1877120.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Geraispt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentFAR - DEPARTAMENTO DE ALIMENTOSpt_BR
dc.publisher.departmentFAR - DEPARTAMENTO DE PRODUTOS FARMACÊUTICOSpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE QUÍMICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofJournal of Structural Chemistrypt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectLumefantrinept_BR
dc.subjectSingle crystalpt_BR
dc.subjectThermal analysispt_BR
dc.subjectHirshfeld surface analysispt_BR
dc.subject.otherLumefantrinapt_BR
dc.subject.otherAntimaláricopt_BR
dc.subject.otherAnálise térmicapt_BR
dc.titleLumefantrine comparative study: single crystal, powder X-ray diffraction, hirshfeld surface and thermal analysispt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://link.springer.com/article/10.1134/S0022476620010175pt_BR
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