Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4 …

O Kourat, A Djafri, N Benhalima, Y Megrouss… - Journal of Molecular …, 2020‏ - Elsevier
Abstract In this work,(E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
monohydrate (NBQA) crystal was synthesized and its structural characterization was carried …

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 …

Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1, 2-c] …

R Rahmani, A Djafri, H Khaldi, Y Megrouss… - Journal of Molecular …, 2025‏ - Elsevier
In this study, we report the synthesis of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1,
2-c] thiazole-1 (3H)-thione (ThBMT). This compound belongs to an important group of …

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) …

Charge Density Study, DFT Calculations, Hirshfield Surface Analysis and Molecular Docking of (Z)-3-N-(Ethyl)-2-N '-(3-methoxyphenyl imino) thiazolidine-4-one

Y Megrouss, S Yahiaoui, N Boukabcha… - Russian Journal of …, 2023‏ - Springer
In this work, the electron density distribution of (Z)-3-N-(ethyl)-2-N'-(3-methoxyphenyl imino)
thiazolidine-4-one is determined by single-crystal X-ray refinements using a spherical …

FTIR, NMR and UV–visible spectral investigations, theoretical calculations, topological analysis, chemical stablity, and molecular docking study on novel bioactive …

R Rahmani, F Perveen, N Benhalima… - Polycyclic Aromatic …, 2023‏ - Taylor & Francis
In this work, a thiazole derivative, 5-(5-nitro furan-2-ylmethylen), 3-N-(2-methoxy phenyl), 2-
N'-(2-methoxyphenyl) imino thiazolidin-4-one (abbreviated by NF2MT), was characterized …

Molecular Structure, FT-IR, NMR (13C/¹H), UV-Vis Spectroscopy and DFT Calculations on (2Z, 5Z)-3-N (4-Methoxy phenyl)-2-N'(4-methoxy phenyl imino)-5-((E)-3-(2 …

R Rahmani, A Djafri, A Chouaih, A Djafri… - South African Journal …, 2019‏ - scielo.org.za
In this study, some molecular properties of (2Z, 5Z)-3-N (4-methoxy phenyl)-2-N'(4-methoxy
phenyl imino)-5-((E)-3-(2-nitro-phenyl) allylidene) thiazolidin-4-one (MNTZ) are evaluated …

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 …

Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N (3 …

S Belhachemi, K Argoub, R Rahmani… - Polycyclic Aromatic …, 2024‏ - Taylor & Francis
A novel heterocyclic compound named (Z)-5-(4-nitrobenzylidene)-3-N (3-chlorophenyl)-2-
thioxothiazolidin-4-one (NCTh) was synthesized and analyzed using various techniques …

[HTML][HTML] Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene) thiazolo [3, 4-a] benzimidazole-2-thione

H Khaldi, A Djafri, Y Megrouss, N Khelloul… - Structure …, 2020‏ - journals.iucr.org
The thiazolo [3, 4-a] benzimidazole fused-ring system in the title compound, C14H8N2OS2,
is nearly planar, the rms deviation being 0.0073 Å. The thiazolo-benzimidazole-2-thione …