(Z)-3-(4-(Dimethylamino)benzylidene)thiochroman-4-one: Synthesis, Crystal Structure and Molecular Modelling Using Density Functional Theory
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DOI: 10.1007/s10870-019-00779-4
Abstract: The title compound C18H17NOS was synthesized by condensation of thiochroman-4-one with 4-dimethylaminobenzaldehyde. The possible existence of the 3-(4-(Dimethylamino)benzylidene)thiochroman-4-one (E)- and (Z)-geometrical isomers was investigated using B3LYP/6-31G**. Crystallographic and vibrational data are compared with the results… read more here.
Keywords: density functional; dimethylamino; benzylidene thiochroman; dimethylamino benzylidene ... See more keywords