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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent.
El Kalai F, Çınar EB, Sert Y, Alhaji Isa M, Lai CH, Buba F, Dege N, Benchat N, Karrouchi K. El Kalai F, et al. Among authors: benchat n. J Biomol Struct Dyn. 2023;41(21):11578-11597. doi: 10.1080/07391102.2022.2164796. Epub 2023 Jan 9. J Biomol Struct Dyn. 2023. PMID: 36617972
Crystal structure and mol-ecular docking study of diethyl 2,2'-({[(1E,1'E)-(hydrazine-1,2-diyl-idene)bis-(methanylyl-idene)]bis-(4,1-phenyl-ene)}bis-(-oxy))di-acetate.
Daoui S, Kansiz S, Aktas FA, Dege N, Saif E, Benchat N, Karrouchi K. Daoui S, et al. Among authors: benchat n. Acta Crystallogr E Crystallogr Commun. 2022 Jan 1;78(Pt 1):88-91. doi: 10.1107/S205698902101344X. eCollection 2022 Jan 1. Acta Crystallogr E Crystallogr Commun. 2022. PMID: 35079432 Free PMC article.
Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro-phen-yl)-2-oxoeth-oxy]phen-yl}ethen-yl)-4,5-di-hydro-pyridazin-3(2H)-one.
Daoui S, Muwafaq I, Çınar EB, Abudunia A, Dege N, Benchat N, Karrouchi K. Daoui S, et al. Among authors: benchat n. Acta Crystallogr E Crystallogr Commun. 2022 Jan 1;78(Pt 1):8-11. doi: 10.1107/S205698902101238X. eCollection 2022 Jan 1. Acta Crystallogr E Crystallogr Commun. 2022. PMID: 35079414 Free PMC article.
Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-di-hydro-pyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses.
Daoui S, Baydere C, Chelfi T, El Kalai F, Dege N, Karrouchi K, Benchat N. Daoui S, et al. Among authors: benchat n. Acta Crystallogr E Crystallogr Commun. 2020 Feb 25;76(Pt 3):432-437. doi: 10.1107/S2056989020002406. eCollection 2020 Mar 1. Acta Crystallogr E Crystallogr Commun. 2020. PMID: 32148889 Free PMC article.
24 results