Résumé:
In this paper we report the synthesis and characterization of the (Z)-3-N-(ethyl)-2-N’-((3-methoxyphenyl)imino)thiazolidine-
4-one by means of FT-IR, 1H and 13C NMR and by single crystal X-ray diffraction. The experimental determination
of the crystal structure of the compound has been achieved using X-ray diffraction data. The important characteristic
of the structure is the existence of a dihedral angle formed by the benzene and thiazolidinone rings being equal to
86.0° indicating an absence of π–π stacking as well as that the structure is non planar. In the crystal, the molecules are
linked by C–H···O and C–H···N hydrogen bonds, these bonds being responsible for the three-dimensional molecular
structure packing. In order to compare the experimental results with those of the theoretical calculation, quantum chemical
DFT calculations were carried out using B3LYP/6-311G(d,p) basis set. In this context, the molecular electrostatic
potential around the molecule and HOMO–LUMO energy levels were also computed. The dipole moment orientations
were determined in order to understand the nature of inter- and intramolecular charge transfer. Finally, the stability of
the title compound was confirmed throughout the calculation of the chemical reactivity descriptors.
