A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester

Maria Annunziata M. Capozzi*, Angel Alvarez-Larena, Joan F. Piniella Febrer, Cosimo Cardellicchio

*Autor correspondiente de este trabajo

Producción científica: Contribución a una revistaArtículoInvestigaciónrevisión exhaustiva

5 Citas (Scopus)

Resumen

The crystal structures ofracemicand (S,S)-aminobenzylnaphthol compounds, obtainedviathe Betti reaction between 2-naphthol, aryl aldehydes and valine methyl ester, were investigated using X-ray diffraction measurements. The molecular shapes of these molecules are similar with variation in hydrogen/fluorine/chlorine, but different crystallographic assemblies were observed. It is worth pointing out that theracemicfluorinated compound crystallizes as a conglomerate. The lattice energies of the crystal structures were calculated by means of the CrystalExplorer17 program. The main weak interactions assembling the crystal structures were recognized, and their contributions were analyzed using the calculated energetic data. It is interesting to point out the situation, which has seldom been reported in the literature, that CH⋯π interactions play a role, despite the presence of potential hydrogen-bonding donors and acceptors.

Idioma originalInglés
Páginas (desde-hasta)20735-20742
Número de páginas8
PublicaciónNew Journal of Chemistry
Volumen45
N.º44
DOI
EstadoPublicada - 28 nov 2021

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