Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative

F El Kalai, K Karrouchi, C Baydere, S Daoui… - Journal of Molecular …, 2021 - Elsevier
A new pyridazinone derivative,(E)-ethyl 2-(5-(4-methylbenzyl)-6-oxo-3-styrylpyridazin-1 (6H)-
yl) acetate (2) has been synthesized and characterized by FT-IR, 1 H-and 13 C-NMR, ESI …

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one

F El Kalai, EB Çınar, CH Lai, S Daoui, T Chelfi… - Journal of Molecular …, 2021 - Elsevier
In this study, we present the synthesis of novel pyridazin-3 (2H)-one derivative namely (E)-4-
(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one (MBSP). The chemical structure of MBSP was …

Synthesis, spectroscopic characterization, antibacterial activity, and computational studies of novel pyridazinone derivatives

S Daoui, Ş Direkel, MM Ibrahim, B Tüzün, T Chelfi… - Molecules, 2023 - mdpi.com
In this work, a novel series of pyridazinone derivatives (3–17) were synthesized and
characterized by NMR (1H and 13C), FT-IR spectroscopies, and ESI-MS methods. All …

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one.

FE Kalai, EB Çınar, CH Lai, S Daoui… - Journal of Molecular …, 2020 - europepmc.org
In this study, we present the synthesis of novel pyridazin-3 (2H)-one derivative namely (E)-4-
(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one (MBSP). The chemical structure of MBSP was …

Synthesis, Crystal Structure, and Computational Investigations of 2-(2-(4-Fluorophenyl)-2-oxoethyl)-6-methyl-5-(4-methylbenzyl)pyridazin-3(2H)-one as Antiviral …

F El Kalai, CS Abraham, S Kansiz, A Oulmidi, S Muthu… - Crystals, 2023 - mdpi.com
The aim of this work was to scrutinize the physiochemical properties of a new pyridazin-3 (2
H)-one derivative with potential pharmaceutical effectiveness via density functional theory …

[PDF][PDF] Crystal structure and Hirshfeld surface analysis of 4-(2, 6-dichlorobenzyl)-6-[(E)-2-phenylethenyl] pyridazin-3 (2H)-one

S Daoui, EB Cinar, N Dege, T Chelfi… - Acta …, 2021 - journals.iucr.org
The title pyridazinone derivative, C19H14Cl2N2O, an important pharmacophore with a wide
variety of biological applications is not planar, the chlorophenyl and pyridazinone rings …

[PDF][PDF] Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4, 5-dihydropyridazin-3 (2H)-one

S Daoui, C Baydere, F El Kalai, R Saddik… - Acta …, 2019 - journals.iucr.org
In the title compound, C13H14N2O3, the dihydropyridazine ring (rms deviation= 0.166 Å)
has a screw-boat conformation. The dihedral angle between its mean plane and the …

[PDF][PDF] Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1, 6-dihydropyridazin-1-yl] acetic acid

S Daoui, C Baydere, F El Kalai, L Mahi… - Acta …, 2019 - journals.iucr.org
The title pyridazinone derivative, C20H18N2O3, is not planar. The phenyl ring and the
pyridazine ring are inclined to each other by 10.55 (12)°, whereas the 4-methylbenzyl ring is …

[PDF][PDF] Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1, 6-dihydropyridazin-1-yl) acetic acid with two monoclinic modifications: Crystal structures and Hirshfeld surface …

S Daoui, C Baydere, T Chelfi, F El Kalai… - Acta …, 2020 - journals.iucr.org
Two polymorphs of the title compound, C19H16N2O3, were obtained from ethanolic
(polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs …

[引用][C] Klorobenzen türevi bileşiklerden elde edilen bazı tek kristallerin yapılarının deneysel yöntemlerle incelenmesi

IM al-Karkhi - 2022 - Ondokuz Mayıs Üniversitesi …