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Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chloro-phen-yl)-N-(4-ferrocenylphen-yl)methanimine.
Sghyar R, Moussaoui O, Sebbar NK, Ait Elmachkouri Y, Irrou E, Hökelek T, Mague JT, Bentama A, El Hadrami EM. Sghyar R, et al. Among authors: irrou e. Acta Crystallogr E Crystallogr Commun. 2021 Aug 10;77(Pt 9):875-879. doi: 10.1107/S2056989021008033. eCollection 2021 Sep 1. Acta Crystallogr E Crystallogr Commun. 2021. PMID: 34584753 Free PMC article.
Crystal structure, Hirshfeld surface analysis and inter-action energy calculation of 1-decyl-2,3-di-hydro-1H-benzimidazol-2-one.
Ait Elmachkouri Y, Saber A, Irrou E, Amer B, Mague JT, Hökelek T, Labd Taha M, Sebbar NK, Essassi EM. Ait Elmachkouri Y, et al. Among authors: irrou e. Acta Crystallogr E Crystallogr Commun. 2021 Apr 27;77(Pt 5):559-563. doi: 10.1107/S2056989021004291. eCollection 2021 May 1. Acta Crystallogr E Crystallogr Commun. 2021. PMID: 34026265 Free PMC article.
Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1H-pyra-zolo[3,4-d]pyrimidin-1-yl)acetic acid.
Irrou E, Elmachkouri YA, Oubella A, Ouchtak H, Dalbouha S, Mague JT, Hökelek T, El Ghayati L, Sebbar NK, Taha ML. Irrou E, et al. Acta Crystallogr E Crystallogr Commun. 2022 Aug 31;78(Pt 9):953-960. doi: 10.1107/S2056989022008489. eCollection 2022 Sep 1. Acta Crystallogr E Crystallogr Commun. 2022. PMID: 36072525 Free PMC article.
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.
Ait Elmachkouri Y, Irrou E, Thiruvalluvar AA, Anouar EH, Varadharajan V, Ouachtak H, Mague JT, Sebbar NK, Essassi EM, Labd Taha M. Ait Elmachkouri Y, et al. Among authors: irrou e. J Biomol Struct Dyn. 2023 Oct 10:1-19. doi: 10.1080/07391102.2023.2268187. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37817543
Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1H-pyrazol-4-yl)-3-phen-yl-propano-ate.
Ait Elmachkouri Y, Irrou E, El Monfalouti H, Mazzah A, Hökelek T, Mague JT, Taha ML, Sebbar NK. Ait Elmachkouri Y, et al. Among authors: irrou e. Acta Crystallogr E Crystallogr Commun. 2024 Jan 31;80(Pt 2):240-246. doi: 10.1107/S2056989024000744. eCollection 2024 Feb 1. Acta Crystallogr E Crystallogr Commun. 2024. PMID: 38333130 Free PMC article.
Crystal structure, Hirshfeld surface and crystal void analysis, inter-molecular inter-action energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thia-zin-3(4H)-one 1,1-dioxide.
Irrou E, Ait Elmachkouri Y, Mazzah A, Hökelek T, Haoudi A, Mague JT, Taha ML, Sebbar NK. Irrou E, et al. Acta Crystallogr E Crystallogr Commun. 2023 Oct 19;79(Pt 11):1037-1043. doi: 10.1107/S205698902300868X. eCollection 2023 Nov 1. Acta Crystallogr E Crystallogr Commun. 2023. PMID: 37936855 Free PMC article.