Synthesis and structural study of 2-(haloalkyl)-3-methylchromones

Abstract:

Abstract: The novel 2-(difluoromethyl)-3-methylchromone, 2-(dichloromethyl)-3-methylchromone, and 3-methyl-2-(perfluoroethyl)chromone were synthesized by a one-pot method and characterized through MS spectrometry, cyclic voltammetry, and vibrational (IR, Raman), UV–Vis, fluorescence, and NMR (1H, 13C, and 19F) spectroscopy. The crystal structure of 2-(difluoromethyl)-3-methylchromone and 2-(dichloromethyl)-3-methylchromone determined by X-ray diffraction methods were used to calculate their intermolecular interactions and crystal lattice energies together with the Hirshfeld surface analysis. Graphic abstract: [Figure not available: see fulltext.].

Año de publicación:

2019

Keywords:

• Hirshfeld surface analysis
• Haloalkylchromones
• Spectroscopic properties
• Quantum chemical calculations
• Single crystal x-ray diffraction

Fuente:

scopus