Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1 H-pyrazol-4-yl) benzamides: X-ray structure, Hirshfeld …
The synthesis, X-ray structure characterization, Hirshfeld surface analysis and DFT
calculations of two new antipyrine derivatives are reported herein. Particularly, 2-bromo-N …
calculations of two new antipyrine derivatives are reported herein. Particularly, 2-bromo-N …
Experimental and density functional studies on two structurally similar antipyrine derivatives: 4-(2-hydroxy-5-nitrobenzylidene-amino)-1, 2-dihydro-1, 5-dimethyl-2 …
YX Sun, R Zhang, DJ Ding, S Liu, BL Wang… - Structural Chemistry, 2006 - Springer
Abstract The Schiff base compounds, 4-(2-hydroxy-5-nitr-obenzylideneamino)-1, 2-dihydro-
1, 5-dimethyl-2-phenylpy-razol-3-one and 4-(3-bromo-5-chloro-2-hydroxybenz …
1, 5-dimethyl-2-phenylpy-razol-3-one and 4-(3-bromo-5-chloro-2-hydroxybenz …
Structure elucidation, DFT and IRI computational investigations of a novel 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl) 2, 6-dimethyl-1, 4-dihydropyridine-3, 5 …
A novel symmetric dihydropyridine possessing cyano group at C11 and C14 has been
synthesized using a modified Hantzsch method. The compound (Image 1) was …
synthesized using a modified Hantzsch method. The compound (Image 1) was …
Experimental and theoretical studies of methyl 1-(2-chloroacetyl)-4-hydroxy-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-carboxylate: Insights from synthesis …
K Palanisamy, S Sundararaju, J Sampathkumar… - Journal of Molecular …, 2024 - Elsevier
Abstract Methyl 1-(2-chloroacetyl)-4‑hydroxy-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (compound 2) was synthesized by the condensation of 3-carboxymethyl-2, 6 …
carboxylate (compound 2) was synthesized by the condensation of 3-carboxymethyl-2, 6 …
[HTML][HTML] Physicochemical analyses of a bioactive 4-aminoantipyrine analogue-synthesis, crystal structure, solid state interactions, antibacterial, conformational and …
MS Alam, DU Lee - EXCLI journal, 2016 - ncbi.nlm.nih.gov
A novel Schiff base derivative of 4-aminoantipyrine, that is,(E)-4-(2-
methoxybenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3 (2H)-one (MBA-dMPP) …
methoxybenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3 (2H)-one (MBA-dMPP) …
Supramolecular association and quantification of intermolecular interactions of 4′-functionalized 2, 2′: 6′, 2 ″-terpyridines: experimental observation and …
S Tripathi, A Hossain, SK Seth… - Journal of Molecular …, 2021 - Elsevier
Abstract Three versatile 4′-substituted 2, 2′: 6′, 2 ″-terpyridine compounds (1–3)
having different substitutions (4-ethoxyphenyl, 4-methoxyphenyl and pyridyl) at 4′-position …
having different substitutions (4-ethoxyphenyl, 4-methoxyphenyl and pyridyl) at 4′-position …
Highly functionalized N-1-(2-pyridinylmethyl)-3, 5-bis [(E)-arylmethylidene] tetrahydro-4 (1H)-pyridinones: Synthesis, characterization, crystal structure and DFT …
DM Al-thamili, AI Almansour, N Arumugam… - Journal of Molecular …, 2020 - Elsevier
Abstract Highly functionalized N-1-(2-pyridinylmethyl)-3, 5-bis [(E)-methoxy/
fluorophenylmethylidene]-tetrahydro-4 (1H)-pyridinones (5a and 5b) have been synthesized …
fluorophenylmethylidene]-tetrahydro-4 (1H)-pyridinones (5a and 5b) have been synthesized …
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation …
Y Ait Elmachkouri, E Irrou, AA Thiruvalluvar… - Journal of …, 2023 - Taylor & Francis
A series of new pyrazolopyranopyrimidine derivatives (3-9) were synthesized from 5-amino-
2, 4-dihydro-3-methyl-4-phenylpyrano-[2, 3-c] pyrazole-5-carbonitrile (2) by multicomponent …
2, 4-dihydro-3-methyl-4-phenylpyrano-[2, 3-c] pyrazole-5-carbonitrile (2) by multicomponent …
Theoretical study of the structures and hydrogen-bond properties of new alternated heterocyclic compounds
A Tabatchnik, V Blot, M Pipelier… - The Journal of …, 2010 - ACS Publications
The conformational preferences of a new bis-pyrrole derivative and its bis-pyridazine
precursor have been investigated through quantum chemistry calculations (HF, DFT …
precursor have been investigated through quantum chemistry calculations (HF, DFT …
Crystallographic and computational investigations of structural properties in phenyl and methoxy‑phenyl substituted 1, 4 dihydropyridine derivatives
Single crystal preparation of two 1, 4-dihydropyridine (1, 4-DHP) derivative molecules,
namely,(i) 2, 6-dimethyl-4-phenyl-1, 4-dihydro-pyridine-3, 5-dicarboxylic acid diethyl ester …
namely,(i) 2, 6-dimethyl-4-phenyl-1, 4-dihydro-pyridine-3, 5-dicarboxylic acid diethyl ester …
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