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Crystal structure and Hirshfeld surface analysis of lapachol acetate 80 years after its first synthesis

Acceso Abierto
ID Minciencias: ART-0000688495-111
Ranking: ART-ART_B

Abstract:

Lapachol acetate [systematic name: 3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl acetate], C 17 H 16 O 4 , was prepared using a modified high-yield procedure and its crystal structure is reported for the first time 80 years after its first synthesis. The full spectroscopic characterization of the molecule is reported. The molecular conformation shows little difference with other lapachol derivatives and lapachol itself. The packing is directed by intermolecular π–π and C—H...O interactions, as described by Hirshfeld surface analysis. The former interactions make the largest contributions to the total packing energy in a ratio of 2:1 with respect to the latter.

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Bioactive Compounds and Antitumor Agents

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Información de la Fuente:

SCImago Journal & Country Rank
FuenteActa Crystallographica Section E Crystallographic Communications
Cuartil año de publicaciónNo disponible
Volumen75
Issue9
Páginas1362 - 1366
pISSNNo disponible
ISSNNo disponible

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