On the relationships between molecular conformations and intermolecular contacts toward crystal self-assembly of mono-, di-, tri-, and tetra-oxygenated xanthone derivatives.

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorCorrea, Rodrigo de Souza-
Autor(es): dc.creatorSantos, Marcelo Henrique dos-
Autor(es): dc.creatorNagem, Tanus Jorge-
Autor(es): dc.creatorEllena, Javier Alcides-
Data de aceite: dc.date.accessioned2025-08-21T15:38:04Z-
Data de disponibilização: dc.date.available2025-08-21T15:38:04Z-
Data de envio: dc.date.issued2017-06-19-
Data de envio: dc.date.issued2017-06-19-
Data de envio: dc.date.issued2010-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/7976-
Fonte completa do material: dc.identifierhttps://link.springer.com/article/10.1007/s11224-010-9582-1-
Fonte completa do material: dc.identifierhttps://doi.org/10.1007/s11224-010-9582-1-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1020268-
Descrição: dc.descriptionOxygenated xanthones have been extensively investigated over the years, but there are few reports concerning their crystal structure. Our chemical investigations of Brazilian plants resulted in the isolation of four natural products named 1-hydroxyxanthone (I), 1-hydroxy-7- methoxyxanthone (II), 1,5-dihydroxy-3-methoxyxanthone (III), and 1,7-dihydroxy-3,8-dimethoxyxanthone (IV). The structures of these compounds were established on the basis of single crystal X-ray diffraction. The xanthone nucleus conformation is essentially planar with the substituents adopting the orientations less sterically hindered. In addition, classical intermolecular hydrogen bonds (O–H O) present in III and IV give rise to infinite ribbons. However, the xanthone I does not present any intermolecular hydrogen bonds, meanwhile the xanthone II presents only a non-classical one (C–H O). The crystal packing of all xanthone structures is also stabilized by p–p interactions. The fingerprint plots, derived from the Hirshfeld surfaces, exhibited significant features of each crystal structures.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectOxygenated xanthones-
Palavras-chave: dc.subjectMolecular conformation-
Palavras-chave: dc.subjectHydrogen bonds-
Palavras-chave: dc.subjectHirshfeld surfaces-
Título: dc.titleOn the relationships between molecular conformations and intermolecular contacts toward crystal self-assembly of mono-, di-, tri-, and tetra-oxygenated xanthone derivatives.-
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