Synthesis, comprehensive spectroscopic investigation and molecular docking studies of (6-Fluoro-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate

Bessy Mary Philip,Jerin Susan John,Merin George,K. Mahesh Kumar, Vinduvahini M, Hemanth Kumar HS,H.C. Devarajegowda,O. Kotresh,Tressia Alias Princy Paulose,D. Sajan

Journal of Molecular Structure（2022）

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摘要

•The (6-Fluoro-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate(6FMM4C) was synthesized and characterized.•The crystallographic structure of the 6FMM4C was analyzed.•Molecular docking meets 6FMM4C has anticancer activity.•Intra and inter molecular interactions were reviewed using NBO analysis.•Electronic absorption studies have been performed.

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关键词

Coumarin,Single crystal XRD,MEP,Vibrational spectra,Docking

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