Science and Technology Production
Article
Authorship
Date
2021
Publishing House and Editing Place
ELSEVIER SCIENCE BV
Magazine
JOURNAL OF MOLECULAR STRUCTURE,
vol. 1236
ELSEVIER SCIENCE BV
Summary
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Derivatives of thioacetanilide show a conformational equilibrium of the anti and syn forms, anti or syn with respect to the N-H and C=S bonds, respectively, which vary with the different experimental conditions of the sample. The presence of a functional group as a substituent of the aromatic ring adds other conformational possibilities, evidenced in the present study of m-trifluoromethylthioacetanilide through different experimental methodologies. The compound under study was obtained in good ...
Derivatives of thioacetanilide show a conformational equilibrium of the anti and syn forms, anti or syn with respect to the N-H and C=S bonds, respectively, which vary with the different experimental conditions of the sample. The presence of a functional group as a substituent of the aromatic ring adds other conformational possibilities, evidenced in the present study of m-trifluoromethylthioacetanilide through different experimental methodologies. The compound under study was obtained in good yield upon acetylation of the corresponding aniline followed by a thionation according to Curphey´s method. The liquid sample was characterized through FTIR, FT Raman and NMR (1H, 13C and 19F) spectroscopies and GC/MS spectrometry. The experimental spectra obtained were analyzed considering data reported for related compounds and quantum chemical calculations derived from Density Functional Theory.
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Key Words
SUBSTITUENT EFFECTTHIOACETANILIDE DERIVATIVESDFT CALCULATIONSSPECTRAL CHARACTERIZATION
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