Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

Chebli, Amar; Djafri, Ahmed; Boukabcha, Nourdine; Megrouss, Youcef; Drissi, Mokhtaria; Belhachemi, Mohammed Hadj Mortada; Yahiaoui, Salem; Guerroudj, Ahlam Roufieda; Chouaih, Abdelkader; Djafri, Ayada

doi:10.1016/j.molstruc.2024.138287

Journal of Molecular Structure

2024

DOI: 10.1016/j.molstruc.2024.138287

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Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

Amar Chebli,

Ahmed Djafri,

Nourdine Boukabcha

et al.

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Synthesis, crystal structure, DFT calculations, NBO, Fukui function, NCI-RDG, Hirshfeld surface analysis, NLO properties and molecular docking analysis on (E)-N'-(3-methoxybenzylidene)-2-(quinolin-8-yloxy) acetohydrazide

Cited by 5 publications

References 40 publications

Tracking the Molecular-Scale Mechanistic Pathway of Trapping-Bonding CTAB/Fe3O4-AS for High-Performance Cr(VI) Adsorption

Tracking the Molecular-Scale Mechanistic Pathway of Trapping-Bonding CTAB/Fe3O4-AS for High-Performance Cr(VI) Adsorption

Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2(3H)-ylidene) benzo[4,5] imidazo [1,2-c] thiazole-1(3H)-thione

Synthesis, crystal structure, Hirshfeld surface analysis, NCI-RDG, molecular docking, molecular dynamic simulations, and toxicity assessment of 2-((2, 4-dimethoxybenzylidene) hydrazono) -1, 2-diphenylethanone

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