Résumé:
We report here the synthesis of the Z-3N(2-ethoxyphenyl)-2-N′(2-ethoxyphenyl)-imino-thiazolidin-4-one
compound. The crystal structure is determined by X-ray diffraction. The compound crystallizes in the
monoclinic system with the space group P21/n and cell parameters: a = 9.4094(10) Å, b = 9.3066(10) Å,
c = 20.960(2) Å, β = 99.0375(10)°, V = 1812.7(3) Å3 and Z = 4. The structure is refined to final R = 0.05
for 2083 observed reflections. The molecule in the crystal exhibits the intermolecular hydrogen bonds of
C–H…O, C–H…N, and C–H…S types. Ab initio calculations are also performed at Hartree–Fock (HF) and
density functional theory (DFT) levels. The full HF and DFT geometry optimization is carried out using the
6-31G(d,p) basis set. The observed molecular structure is compared with that calculated by both HF and
DFT methods. The optimized geometry of the titled compound is found to be consistent with the structure
determined by X-ray diffraction.
