Results 181 to 190 of about 1,771,283 (231)

A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study

Журнал структурной химии
The diazotization reaction of o-trifluoromethyl aniline from aromatic amines with 5,5-dimethylcyclohexane-1,3-dione was studied, as a result, 2-(2-(o-trifluoromethylphenyl)hydrazono)-5,5-dimethylcyclohexane-1 ,3-dione (THDCD) was synthesized and its ...
M. Kurbanova, M. Ashfaq, A. Sadigova, M. Feizi-Dehnayebi, A. Maharramov, M. Tahir   +5 more
semanticscholar   +1 more source

Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives

Polycyclic aromatic compounds (Print), 2023
Pyrazolones derivatives are known for their pharmaceutical and therapeutic activities. In this regard, some new pyrazolone derivatives have been synthesized using cyclocondensation, nucleophilic substitution, and alkylation reactions. Their corresponding
Younesse Ait Elmachkouri, Y. Sert, Ezaddine Irrou, E. Anouar, Hassan Ouachtak, J. Mague, N. K. Sebbar, E. Essassi, Mohamed Labd Taha   +8 more
semanticscholar   +1 more source

Synthesis, single crystal X-ray, Hirshfeld surface analysis and DFT calculation based NBO, HOMO-LUMO, MEP, ECT and molecular docking analysis of N'-[(2,6-dichlorophenyl)methylidene]-2-{[3-(trifluoromethyl)phenyl]amino}benzohydrazide

Журнал структурной химии
A new Schiff base compound of N'-[(2,6-dichlorophenyl)methylidene]-2-{[3-(trifluoromethyl)phenyl]amino}benzohydrazide was synthesized and characterized through various spectroscopic techniques, including infrared, 1H NMR, 13C NMR spectroscopy and X–ray ...
A. Suhta, S. Saral, U. Çoruh, S. Karakuş, E. Vazquez-Lopez   +4 more
semanticscholar   +1 more source

Novel dinuclear Ni (II) Schiff base complexes induced noncovalent exchanges: Crystal structure investigation, electrochemical assessment, Hirshfeld surface analysis and SARS‐CoV‐2 docking study

Applied organometallic chemistry, 2023
In this work, novel Ni (II) complexes, namely, [Ni2(L)2(OAc)2(EtOH)2] (1a), [Ni2(L)2(OAc)2(H2O)2] (1b‐1) and [Ni2(L)2(OAc)2(EtOH)2] (1b‐2) as co‐crystal were synthesized by the 1:1 condensation (https://www.sciencedirect.com/topics/chemistry/condensation)
Pardis Roozbahani, R. Malekshah, M. Salehi, Sakineh Parvarinezhad, M. Kubicki   +4 more
semanticscholar   +1 more source

Synthesis, Crystal Structure, Supramolecular Assembly Inspection by Hirshfeld Surface Analysis and Computational Exploration of 4-Phenyl-6-(p-Tolyl)Pyrimidin-2 (1H)-One (PPTP)

Journal of Structural Chemistry, 2023
M. Kurbanova, M. Ashfaq, M. Tahir, A. Maharramov, N. Dege, N. Ramazanzade, E. Çınar   +6 more
semanticscholar   +1 more source

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

Journal of Molecular Structure, 2023
Nourdine Boukabcha, Abdelmadjid Benmohammed, Mohammed Hadj Mortada Belhachemi, Meriem Goudjil, S. Yahiaoui, Y. Megrouss, Ahmed Djafri, N. Khelloul, Zohra Douaa Benyehlou, A. Djafri, A. Chouaih   +10 more
semanticscholar   +1 more source

Synthesis and Charaterizations of the Schiff Base Derived from 2-Hydroxy-5-Nitrobenzaldehyde Alongwith Hirshfeld Surface Analysis and Computational Study

Journal of Structural Chemistry, 2023
O. Simsek, Muhammad Ashfaq, Muhammad Mohsin Tahir, S. Ozturk, E. Ağar   +4 more
semanticscholar   +1 more source

Photocatalytic degradation of remdesivir nucleotide pro-drug using [Cu(1-methylimidazole)4(SCN)2] nanocomplex synthesized by sonochemical process: Theoretical, hirshfeld surface analysis, degradation kinetic, and thermodynamic studies.

Environmental Research, 2023
Fazlolah Eshghi, Z. Mehrabadi, Majid Farsadrooh, P. Hayati, H. Javadian, Mehdi Karimi, H. Karimi-Maleh, Sadegh Rostamnia, C. Karaman, Fatemeh Aghababaei   +9 more
semanticscholar   +1 more source

Synthesis, Structural, Spectroscopic, Hirshfeld Surface Analysis and Computational Study of Copper Complex Containing Salicylaldimine Ligands

Journal of Structural Chemistry, 2023
E. Alaman, A. Alaman Ağar, Muhammad Mohsin Tahir, Muhammad Ashfaq, E. Poyraz, N. Dege   +5 more
semanticscholar   +1 more source

SYNTHESIS, CRYSTAL STRUCTURE, SUPRAMOLECULAR ASSEMBLY EXPLORATION BY HIRSHFELD SURFACE ANALYSIS AND COMPUTATIONAL STUDY OF 6-BROMO-2-OXO- 2H-CHROMENE-3-CARBONITRILE (BOCC)

Journal of Structural Chemistry, 2023
M. Kurbanova, Muhammad Ashfaq, Muhammad Mohsin Tahir, A. Maharramov, N. Dege, A. Koroğlu   +5 more
semanticscholar   +1 more source