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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   +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   +8 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   +4 more
semanticscholar   +1 more source

Synthesis, Spectroscopic, Crystal Structure, DFT, Hirshfeld Surface and Molecular Docking Analysis of Hexahydroquinoline Derivative (HQ)

Polycyclic aromatic compounds (Print), 2022
The synthesis of a HQ derivative using a one-pot multicomponent synthesis is reported. Single crystal X-Ray diffraction at 293 K was used to characterize the material, which was then investigated theoretically using the DFT method.
Aysha Fatima   +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   +5 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   +10 more
semanticscholar   +1 more source

One-dimensional Polymer of Copper with Salicylic Acid and Pyridine Linkers: Synthesis, Characterizations, Solid State Assembly Investigation by Hirshfeld Surface Analysis, and Computational Studies

Journal of Molecular Structure, 2023
Alieva Qudrat M   +10 more
semanticscholar   +1 more source

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