Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E, 5Z)-3-(4-fluorophenyl) …

N Kheddam, A Djafri, Y Megrouss, R Rahmani… - Journal of Molecular …, 2024 - Elsevier
This paper describes the synthesis of a novel fluorine-substituted thiazolidin-4-one
compound,(2E, 5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) …

Synthesis, molecular and solid state structure of 5-(5-nitro furan-2-ylmethylen), 3-N-(2-methoxy phenyl), 2-N′-(2-methoxyphenyl) imino thiazolidin-4-one: X-ray …

R Rahmani, A Djafri, A Chouaih, A Djafri… - Journal of Molecular …, 2017 - Elsevier
Abstract The 5-(5-nitro furan-2-ylmethylen), 3-N-(2-methoxy phenyl), 2-N′-(2-
methoxyphenyl) imino thiazolidin-4-one compound has been synthesized and fully …

Spectroscopic characterization, X-ray structure and DFT studies on 4-[3-(2, 5-dimethylphenyl)-3-methylcyclobutyl]-N-methylthiazol-2-amine

H Saraçoğlu, Ö Ekici - Journal of Structural Chemistry, 2015 - Springer
Abstract The titled molecule 4-[3-(2, 5-dimethylphenyl)-3-methylcyclobutyl]-N-methylthiazol-
2-amine (C 17 H 22 N 2 S) is synthesized and characterized by 1 H NMR, 13 C NMR, IR …

Synthesis, PXRD structural determination, Hirshfeld surface analysis and DFT/TD-DFT investigation of 3N-ethyl-2N'-(2-ethylphenylimino) thiazolidin-4-one

NEH Belkafouf, FT Baara, A Altomare, R Rizzi… - Journal of Molecular …, 2019 - Elsevier
The title compound, 3N-ethyl-2N'-(2-ethylphenylimino) thiazolidin-4-one (C 13 H 16 N 2 OS),
was synthesized and structurally studied by IR and (1 H, 13 C) NMR spectroscopy. The …

[HTML][HTML] Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z, 5Z)-5-(4-nitrobenzylidene)-3-N (2 …

A Djafri, F Perveen, N Benhalima, N Khelloul… - Heliyon, 2020 - cell.com
We reported an experimental and theoretical spectroscopic studies of (2Z, 5Z)-5-(4-
nitrobenzylidene)-3-N (2-methoxyphenyl)-2-N'(2-methoxyphenylimino) thiazolidin-4-one (C …

Synthesis, Structural Characterization and Theoretical NLO Activity of N-(4-Acetyl-5-(4-(Nitro) Phenyl)-4, 5-Dihydro-1, 3, 4-Thiadiazol-2-yl)-N-Phenyl Acetamide

C Tabti, A Benmohammed, N Boukabcha… - Polycyclic Aromatic …, 2023 - Taylor & Francis
The special properties of organic compounds are due to the polyvalence of the carbon atom.
In this research, the organic single crystal of N-(4-acetyl− 5-(4-(nitro) phenyl)− 4, 5-dihydro …

Experimental and theoretical investigation of the molecular and electronic structure of 5-(4-aminophenyl)-4-(3-methyl-3-phenylcyclobutyl) thiazol-2-amine

N Özdemir, M Dinçer, A Çukurovalı… - Journal of molecular …, 2009 - Springer
Abstract The title molecule, 5-(4-aminophenyl)-4-(3-methyl-3-phenylcyclobutyl) thiazol-2-
amine (C 20 H 21 N 3 S), was prepared and characterized by 1 H-NMR, 13 C-NMR, IR and …

Spectroscopy studies, X-ray diffraction and DFT, HF calculations of 4-allyl-5-(thiophen-2-ylmethyl)-2H-1, 2, 4-triazol-3 (4H)-one

C Alaşalvar, MS Soylu, Y Ünver, G Apaydın… - Journal of molecular …, 2013 - Elsevier
In this work, 4-allyl-5-(thiophen-2-ylmethyl)-2H-1, 2, 4-triazol-3 (4H)-one has been
synthesized and characterized by using FT-IR, 1H NMR, UV–vis spectra and XRD (X-ray …

[PDF][PDF] Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method.

Y Megrouss, FT Baara, N Boukabcha… - Acta Chimica …, 2019 - pdfs.semanticscholar.org
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 …

[HTML][HTML] Quantum chemical studies on structural, spectroscopic, nonlinear optical, and thermodynamic properties of the 1, 2, 4-triazole compound

H Medetalibeyoğlu, H Yüksek - Heterocyclic Communications, 2021 - degruyter.com
In this study, the structure of 4-[4-(diethylamino)-benzylideneamino]-5-benzyl-2 H-1, 2, 4-
triazol-3 (4 H)-one (DBT) was examined through spectroscopic and theoretical analyses. In …