Parcourir Publications scientifiques par sujet "DFT calculations"

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Crystal and molecular structure of (2Z, 5Z)-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl) imino]-5-(4-nitrobenzylidene) thiazolidin-4-one

Chouaih, Abdelkader; Djafri, Ahmed; Daran, J-C; Hamzaoui, Fodil (Acta Crystallographica Section E: Crystallographic Communications, 2017-04-01)

In the title compound, C24H19N3O5S, the thiazole ring (r.m.s. deviation = 0.012 Å) displays a planar geometry and is surrounded by three fragments, two methoxyphenyl and one nitrophenyl. The thiazole ring is almost in the ...
Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method

Chouaih, Abdelkader; Megrouss, Youcef; Triki Baara, Fayssal; Boukabcha, Nourdine; Hatzidimitriou, Antonis; Djafri, Ayada; Hamzaoui, Fodil (Acta Chimica Slovenica, 2019-04-04)

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 ...

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