[PDF][PDF] Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-N-[(E)-(5-nitrothiophen-2-yl) methylidene] aniline
The title compound, C12H9N3O4S, synthesized by condensation of 5-nitrothiophene-2-
carbaldehyde and 2-methyl-3-nitroaniline, crystallizes in the orthorhombic space group …
carbaldehyde and 2-methyl-3-nitroaniline, crystallizes in the orthorhombic space group …
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin …
In this work, a novel crystal,(E)-4-(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one (E-BSP) was
synthesized via Knoevenagel condensation of benzaldehyde and (E)-6-(4-methoxystyryl)-4 …
synthesized via Knoevenagel condensation of benzaldehyde and (E)-6-(4-methoxystyryl)-4 …
Synthesis, X-ray crystallography, vibrational spectroscopy, thermal and DFT studies of (E)-6-(4-methylstyryl)-4, 5-dihydropyridazin-3 (2H)-one
S Daoui, C Baydere, F Akman, F El Kalai, L Mahi… - Journal of Molecular …, 2021 - Elsevier
Abstract A novel pyridazin-3 (2H)-one derivative,(E)-6-(4-methylstyryl)-4, 5-dihydropyridazin-
3 (2H)-one (3) has been synthesized and characterized by FT-IR, UV–vis, 1 H-and 13 C …
3 (2H)-one (3) has been synthesized and characterized by FT-IR, UV–vis, 1 H-and 13 C …
Synthesis, crystal structure, and DFT study of 1-cyclopropyl-3-(3-((1-(2-methoxyphenyl)-5-oxo-[1, 2, 4]triazolo[4,3-a]quinazolin-4(5H)-yl)methyl)phenylurea
L Yao, Q Wu, Y Chen, W Ye, S Wang, Y Jia… - … Crystals and Liquid …, 2023 - Taylor & Francis
A new triazoline-quinazolinone compound, 1-cyclopropyl-3-(3-((1-(2-methoxyphenyl)-5-oxo-
[1, 2, 4] triazolo [4, 3-a] quinazoline-4 (5H)-yl) methyl) phenylurea, was attained by nine …
[1, 2, 4] triazolo [4, 3-a] quinazoline-4 (5H)-yl) methyl) phenylurea, was attained by nine …
Utilizing molecular geometry, pKa, NMR, and IR data to assess the accuracy of quantum mechanics-derived thermodynamic parameters in evaluating antioxidant …
In the current scientific milieu, a plethora of studies explores the intricacies of unravelling the
antioxidant capacities inherent in novel compounds, employing the sophisticated tool of …
antioxidant capacities inherent in novel compounds, employing the sophisticated tool of …
[PDF][PDF] Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy] phenyl} ethenyl)-4, 5-dihydropyridazin-3 (2H)-one
S Daoui, I Muwafaq, EB Çınar, A Abudunia… - Acta …, 2022 - journals.iucr.org
The pyridazine ring in the title compound, C20H17ClN2O3, adopts a screw-boat
conformation. The whole molecule is flattened, the dihedral angles subtended by the least …
conformation. The whole molecule is flattened, the dihedral angles subtended by the least …
[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 …
Two polymorphs of the title compound, C19H16N2O3, were obtained from ethanolic
(polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs …
(polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs …
Synthesis, crystal structure and DFT study of 1, 1-dimethylethyl (2R)-2-(hydroxydiphenylmethyl)-1-pyrrolidinecarboxylate
BH Yang, LX Ma, JL Li, ZX Zhou… - Molecular Crystals and …, 2023 - Taylor & Francis
During the asymmetric reduction process of Corey Bakshi Shibata chiral reagent, the target
compound 1, 1-dimethylethyl (2 R)-2-(hydroxydiphenylmethyl)-1-pyrrolidine carboxylate was …
compound 1, 1-dimethylethyl (2 R)-2-(hydroxydiphenylmethyl)-1-pyrrolidine carboxylate was …
Synthesis, Crystal Structure, and DFT Study of Ethyl 3-(2, 3-Dihydrobenzofuran-5-yl)-2-propenoate
LX Ma, Y Shi, JL Li, Q Guo, ZX Zhou… - Russian Journal of …, 2022 - Springer
Abstract The target compound ethyl 3-(2, 3-dihydrobenzofuran-5-yl)-2-propenoate was
synthesized by a two-step reaction. A single crystal of this compound was grown in a …
synthesized by a two-step reaction. A single crystal of this compound was grown in a …
[引用][C] Klorobenzen türevi bileşiklerden elde edilen bazı tek kristallerin yapılarının deneysel yöntemlerle incelenmesi
IM al-Karkhi - 2022 - Ondokuz Mayıs Üniversitesi …