Search Results - "Djafri, Ahmed"

Experimental spectral characterization, Hirshfeld surface analysis, DFT/TD-DFT calculations and docking studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N(2-methoxyphenyl)-2-N’(2-methoxyphenylimino) thiazolidin-4-one by Djafri, Ahmed, Perveen, Fouzia, Benhalima, Nadia, Khelloul, Nawel, Rahmani, Rachida, Djafri, Ayada, Chouaih, Abdelkader, Kanoun, Mohammed Benali, Goumri-Said, Souraya

“…We reported an experimental and theoretical spectroscopic studies of (2Z,5Z)-5-(4-nitrobenzylidene)-3-N (2-methoxyphenyl)-2-N’ (2-methoxyphenylimino)…”
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Crystal and molecular structure of (2 Z ,5 Z )-3-(2-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-5-(4-nitrobenzylidene)thiazolidin-4-one by Djafri, Ahmed, Chouaih, Abdelkader, Daran, Jean-Claude, Djafri, Ayada, Hamzaoui, Fodil

“…In the title compound, C 24 H 19 N 3 O 5 S, the thiazole ring (r.m.s. deviation = 0.012 Å) displays a planar geometry and is surrounded by three fragments, two…”
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Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymeth-yl)-4 H -1,2,4-triazol-3-yl]sulfan-yl}acetate by Bahoussi, Rawia Imane, Djafri, Ahmed, Chouaih, Abdelkader, Djafri, Ayada, Hamzaoui, Fodil

“…In the title compound, C H N O S, the 1,2,4-triazole ring is twisted with respect to the mean plane of quinoline moiety at 65.24 (4)°. In the crystal,…”
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Crystal structure of (2 Z ,5 Z )-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-5-[( E )-3-(2-nitrophenyl)allylidene]-1,3-thiazolidin-4-one by Rahmani, Rachida, Djafri, Ahmed, Daran, Jean-Claude, Djafri, Ayada, Chouaih, Abdelkader, Hamzaoui, Fodil

“…In the title compound, C 26 H 21 N 3 O 5 S, the thiazole ring is nearly planar with a maximum deviation of 0.017 (2) Å, and is twisted with respect to the…”
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Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5-bromolindolin-2,3‑dione by Boukabcha, Nourdine, Benmohammed, Abdelmadjid, Belhachemi, Mohammed Hadj Mortada, Goudjil, Meriem, Yahiaoui, Salem, Megrouss, Youcef, Djafri, Ahmed, Khelloul, Nawel, Benyehlou, Zohra Douaa, Djafri, Ayada, Chouaih, Abdelkader

“…•The experimental structure was characterized by FT-IR, UV–Vis and NMR.•The optimized geometry of FBID molecule was computed and its spectroscopic properties…”
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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]thiazole-1(3H)-thione by Rahmani, Rachida, Djafri, Ahmed, Khaldi, Hafsa, Megrouss, Youcef, Guerroudj, Ahlam Roufieda, Dege, Necmi, Djafri, Ayada, Chouaih, Abdelkader

“…•New benzimidazole derivative was synthesized and characterized by IR and (1H, 13C) NMR.•Its 3D structure has been obtained by SC-XRD, B3LYP and…”
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Insight into (Z)-ethyl-2-(2-((E)-2,4-dinitro benzylidene amino)-4-oxo-3-phenylthiazolidin-5-ylidene) acetate in-silico anti-SARS-CoV-2 performance: Synthesis, structural-spectral characterizations and DFT computations by Benmohammed, Abdelmadjid, Saidj, Merzouk, Djafri, Ahmed, Guerroudj, Ahlam Roufieda, Rabah, Amine Ould, Goudjil, Meriem, Boukabcha, Nourdine, Chouaih, Abdelkader, Djafri, Ayada

“…•Crystallization and single-crystal X-ray characterization of the 4-thiazolidinone derivative…”
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Synthesis, SC-XRD structure, spectroscopy, intermolecular interactions, DFT/TD-DFT investigation, and (static, dynamic) NLO properties of (2E,5Z)-3-(4-fluorophenyl)-2-(4-fluorophenylimino)-5-((E)-3-(2-nitrophenyl) allyliden) thiazolidin-4-one by Kheddam, Narimane, Djafri, Ahmed, Megrouss, Youcef, Rahmani, Rachida, Guerroudj, Ahlam Roufieda, Belhachemi, Soumia, Djafri, Ayada, Chouaih, Abdelkader

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Molecular Structure, Experimental and Theoretical Vibrational Spectroscopy, (HOMO-LUMO, NBO) Investigation, (RDG, AIM) Analysis, (MEP, NLO) Study and Molecular Docking of Ethyl-2-{[4-Ethyl-5-(Quinolin-8-yloxyMethyl)-4H-1,2,4-Triazol-3-yl] Sulfanyl} Acetate by Saidj, Merzouk, Djafri, Ahmed, Rahmani, Rachida, Belkafouf, Nour El Houda, Boukabcha, Nourdine, Djafri, Ayada, Chouaih, Abdelkader

“…The spectroscopic characterization of the new synthesized heterocyclic aromatic organic compound ethyl −2-{[4-ethyl −5-(quinolin- 8-yloxymethyl) -4H-…”
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Catalyst-free one-pot three-component synthesis and in silico bioactivity of new 4-pyrazolyl pyrano[3,4-c] pyrrole derivatives by Cherfaoui, Brahim, Lakhdari, Houria, Bennamane, Norah, Merazig, Hocine, Djafri, Ahmed, Bouchama, Abdelghani, Nedjar-Kolli, Bellara

“…An unexpected route for the synthesis of pyrano [3,4- c ] pyrrole derivatives has been reported via catalyst-free, three-component reaction of 1,3-dicarbonyl…”
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Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide monohydrate: A combined experimental and DFT approach by Kourat, Oumeria, Djafri, Ahmed, Benhalima, Nadia, Megrouss, Youcef, Belkafouf, Nour El Houda, Rahmani, Rachida, Daran, Jean-Claude, Djafri, Ayada, Chouaih, Abdelkader

“…•A novel quinoline derivative was synthesized and characterized.•FT-IR, NMR, UV–Vis techniques and DFT method were used for spectroscopic…”
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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 by Chebli, Amar, Djafri, Ahmed, Boukabcha, Nourdine, Megrouss, Youcef, Drissi, Mokhtaria, Belhachemi, Mohammed Hadj Mortada, Yahiaoui, Salem, Guerroudj, Ahlam Roufieda, Chouaih, Abdelkader, Djafri, Ayada

“…•The optimized geometry is computed and spectroscopic properties of DBQA using B3LYP methods.•Experimentally and Theoretically calculated by FT-IR, UV–Vis, NMR…”
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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 by Smati, Sabrina, Djafri, Ahmed, Menad, Karima, Boukabcha, Nourdine, Rahmani, Rachida, Goudjil, Meriem, Megrouss, Youcef, Khaldi, Hafsa, Dege, Necmi, Chouaih, Abdelkader, Djafri, Ayada

“…•The structural characterization of EMBIT was performed combining experimental and theoretical methods.•The molecular electrostatic potential and the energy…”
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Synthesis, structural, spectroscopic, intermolecular interactions, kinetic stability, charge transfer method with DNA bases and electronic properties of (E)-3-(2-ethoxyphenyl)-5-(3-(2-methoxyphenyl)-4methylthiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one: Computational and experimental approach by Nekrouf, Asma, Toubal, Khaled, Megrouss, Youcef, Belkafouf, Nour El Houda, Djafri, Ahmed, Khelloul, Nawel, Daran, Jean-Claude, Djafri, Ayada, Chouaih, Abdelkader

“…•A novel thiazolidinone was synthesized and characterized.•HS, RDG and NBO studies were discussed.•DNA bases behavior was analyzed with ECT method. In the…”
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Synthesis, crystal structure, Hirshfeld surface analysis, computational investigations and molecular docking studies of (Z)-3-N-(methyl)-2-N’-(4-methoxyphenylimino) thiazolidin-4-one dihydrate by Kaas, Sid Ahmed, Baara, Fayssal Triki, Megrouss, Youcef, Yahiaoui, Salem, Djafri, Ahmed, Boudjenane, Fatima Zohra, Chouaih, Abdelkader, Djafri, Ayada, Hatzidimitriou, Antonis

“…•The synthesis of a new thiazole derivative has been achieved.•The structural characterization was performed using experimental and theoretical…”
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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 by Tabti, Charef, Benmohammed, Abdelmadjid, Boukabcha, Nourdine, Dege, Necmi, Djafri, Ahmed, Boudjenane, Fatima Zohra, Chouaih, Abdelkader, Djafri, Ayada

“…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…”
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Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One by Belhachemi, Soumia, Argoub, Kadda, Rahmani, Rachida, Boulakoud, Manel, Djafri, Ahmed, Kheddam, Narimane, Tabti, Charef, Toubal, Khaled, Chouaih, Abdelkader

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Synthesis, Fluorescence Properties, Molecular Docking Studies, and Analysis of the Crystalline Structure of the Novel 5‐Imino‐7‐Aryl‐5 H‐Thiazolo[3.2‐a]Pyrimidine‐6‐Carbonitrile and Its Derivatives by Touati, Yousseuf, Benabdallah, Mohammed, Merabat, Ihcen, Sejas, Julio A., Hassaine, Ridha, Djafri, Ahmed, Bouchama, Abdelghani, Chouaih, Abdelkader, Vázquez‐Tato, M. P., Choukchou‐Braham, Noureddine

“…ABSTRACT This study describes a simple, inexpensive, and effective method for the synthesis of new 5‐imino‐7‐aryle‐5H‐thiazolo[3,2‐a]pyrimidine‐3‐carbonitrile…”
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Synthesis, Fluorescence Properties, Molecular Docking Studies, and Analysis of the Crystalline Structure of the Novel 5‐Imino‐7‐Aryl‐5H‐ThiazoloPyrimidine‐6‐Carbonitrile and Its Derivatives by Touati, Yousseuf, Benabdallah, Mohammed, Merabat, Ihcen, Sejas, Julio A, Hassaine, Ridha, Djafri, Ahmed, Bouchama, Abdelghani, Chouaih, Abdelkader, M P Vázquez‐Tato, Noureddine Choukchou‐Braham

“…This study describes a simple, inexpensive, and effective method for the synthesis of new 5‐imino‐7‐aryle‐5H‐thiazolo[3,2‐a]pyrimidine‐3‐carbonitrile…”
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One‐pot green synthesis, study of fluorescence properties, and biological activity of pyranochromenes derivatives via mesoporous materials MgO/SBA‐15 by Chelihi, Ahmed, Hassaine, Ridha, Nachat, Souad, Benabdallah, Mohammed, Bendahou, Karima, Aissaoui, Mohammed, Merzouk Saidj, Djafri, Ahmed, Boukenna, Leïla, Bouchama, Abdelghani, Noureddine Choukchou‐Braham, Taibi, Nadia

“…This current work describes the preparation of MgO‐SBA‐15 catalysts by ultrasonic method, and it is characterized by the different analysis techniques of XRD,…”
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