Synthesis of crystalline fluoro-functionalized imines, single crystal investigation, Hirshfeld surface analysis, and theoretical exploration
This investigation is focused on the synthesis of two halo-functionalized crystalline Schiff
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …
base (imine) compounds:(E)-2-methoxy-6-(((3-(trifluoromethyl) phenyl) imino) methyl) …
[HTML][HTML] Facile synthesis of 4-aryl-N-(5-methyl-1H-pyrazol-3-yl) benzamides via Suzuki Miyaura reaction: antibacterial activity against clinically isolated NDM-1 …
The production of new pyrazole amide derivatives (6a-h) and their potential against New
Delhi metallo-β-lactamase-1 (NDM-1) producing bacteria was described in the present …
Delhi metallo-β-lactamase-1 (NDM-1) producing bacteria was described in the present …
Synthesis, spectroscopic characterization, single-crystal structure, hirshfeld surface analysis, and antimicrobial studies of 3-acetoxy-2-methylbenzoic anhydride
We report a novel anhydride derivative, 3-acetoxy-2-methylbenzoic anhydride (AMA),
obtained from the interaction of 3-acetoxy-2-methylbenzoyl chloride with 3-acetoxy-2 …
obtained from the interaction of 3-acetoxy-2-methylbenzoyl chloride with 3-acetoxy-2 …
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 …
The Unconventional Noncovalent Interactions Control: Crystallographic and Theoretical Analyses of the Crystalline Structure of 1, 1′‐(1‐Chloro‐4‐methoxyphenyl) …
Unconventional noncovalent interactions are ubiquitous in molecular crystals,
supramolecular systems, and biomolecules, but their significance has often been …
supramolecular systems, and biomolecules, but their significance has often been …
[HTML][HTML] Molecular properties and In silico bioactivity evaluation of (4-fluorophenyl)[5)-3-phen-(4-nitrophenyl yl-4, 5-dihydro-1H-pyrazol-1-yl] methanone derivatives …
IA Omotayo, S Banjo, OT Emmanuel, LD Felix… - Journal of Taibah …, 2023 - Elsevier
Objectives Molecular structures, spectroscopic properties, charge distributions, frontier
orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were …
orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were …
Synthesis, crystal structure, biological evaluation, in silico ADME properties, enzymatic target prediction and molecular docking studies of pyrazolone-azomethine …
A series of twelve azomethine analogs (3a-l) of 4-aminoantipyrine (4-AA) were prepared
and characterized using FT-IR, 1 HNMR and EI mass spectrometric analysis. Analog 3f was …
and characterized using FT-IR, 1 HNMR and EI mass spectrometric analysis. Analog 3f was …
Single crystal investigation, Hirshfeld surface and interaction energy framework analyses of structure-directing interactions within two isomorphous Schiff's base …
The two new isomorphous Schiff's base multicomponent salts, 1 and 2, have been
synthesized using solvent assisted grinding (SAG) methodology and are characterized …
synthesized using solvent assisted grinding (SAG) methodology and are characterized …
Synthesis, investigation of the crystal structure, DFT calculations, and in silico medicinal potential of hydrazono-and aminomethylene substituted pyrazolidine-3, 5 …
Y El Bakri, SA Siddique, SK Mohamed… - New Journal of …, 2024 - pubs.rsc.org
Two new pyrazolidine-3, 5-dione derivatives namely (Z)-4-(2-(4-bromophenyl) hydrazono)-1-
phenylpyrazolidine-3, 5-dione (2) and (E)-1-phenyl-4-((pyridin-2-ylamino) methylene) …
phenylpyrazolidine-3, 5-dione (2) and (E)-1-phenyl-4-((pyridin-2-ylamino) methylene) …
Synthesis, structural analysis, DFT and molecular docking studies of N-(6-(((E)-4-methoxybenzylidene) amino) hexyl)-1-(4-methoxyphenyl) methanimine and its …
MA Bhat, OA Wani, SA Bhat, RJ Butcher - Journal of Molecular Structure, 2023 - Elsevier
Abstract N-(6-(((E)-4-methoxybenzylidene) amino) hexyl)-1-(4-methoxyphenyl) methanimine
(1) and its hydrate (2) were synthesized by refluxing hexamethylene diamine and …
(1) and its hydrate (2) were synthesized by refluxing hexamethylene diamine and …