Lumefantrine comparative study: single crystal, powder X-ray diffraction, hirshfeld surface and thermal analysis

Página do item simplificado
dc.creatorMaria Betânia de Freitas Marques
dc.creatorMaria Irene Yoshida
dc.creatorChristian Fernandes
dc.creatorBernardo Lages Rodrigues
dc.creatorWagner da Nova Mussel
dc.date.accessioned2022-05-24T21:34:21Z
dc.date.accessioned2025-09-09T00:30:30Z
dc.date.available2022-05-24T21:34:21Z
dc.date.issued2020
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.identifier.doi10.26902/JSC_id51740
dc.identifier.issn0022-4766
dc.identifier.urihttps://hdl.handle.net/1843/41937
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of Structural Chemistry
dc.rightsAcesso Restrito
dc.subjectLumefantrina
dc.subjectAntimalárico
dc.subjectAnálise térmica
dc.subject.otherLumefantrine
dc.subject.otherSingle crystal
dc.subject.otherThermal analysis
dc.subject.otherHirshfeld surface analysis
dc.titleLumefantrine comparative study: single crystal, powder X-ray diffraction, hirshfeld surface and thermal analysis
dc.typeArtigo de periódico
local.citation.epage159
local.citation.issue1
local.citation.spage151
local.citation.volume61
local.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.
local.publisher.countryBrasil
local.publisher.departmentFAR - DEPARTAMENTO DE ALIMENTOS
local.publisher.departmentFAR - DEPARTAMENTO DE PRODUTOS FARMACÊUTICOS
local.publisher.departmentICX - DEPARTAMENTO DE QUÍMICA
local.publisher.initialsUFMG
local.url.externahttps://link.springer.com/article/10.1134/S0022476620010175

Arquivos

Licença do pacote

Agora exibindo 1 - 1 de 1
Imagem de Miniatura
Nome:
License.txt
Tamanho:
1.99 KB
Formato:
Plain Text
Descrição:
Baixar

Coleções

Artigo de Periódico

Logo UFMG