Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1(2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations

doi:10.1016/J.CDC.2019.100195

Paper

Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1(2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations

Published Apr 1, 2019 · K. Kumara, F. H. Al-Ostoot, Y. H. Mohammed

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Abstract

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Study Snapshot

Ethyl 2-[5-nitro-2-oxopyridine-1(2H)-yl] acetate, a pyridine derivative with potent pharmacological properties, has been synthesized and characterized, with potential for pharmaceutical applications.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1(2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations

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References

Synthesis, spectral characterization and X-ray crystal structure studies of 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT and thermal analysis

The novel pyrazole derivative 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide exhibits three-dimensional supramolecular

Design and synthesis of conjugated azo-hydrazone analogues using nano BF3·SiO2 targeting ROS homeostasis in oncogenic and vascular progression.

The synthetic azo-hydrazone analogue 9f effectively inhibits tumor progression and neoangiogenesis by reducing reactive oxygen species (ROS).

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

The CE-B3LYP model energies accurately describe intermolecular interactions in molecular crystals, with a mean deviation of 2.4 kJ mol1 from density functional results.

New isomeric Cu(NO2-phen)2Br]Br complexes: Crystal structure, Hirschfeld surface, physicochemical, solvatochromism, thermal, computational and DNA-binding analysis.

The new Cu(NO2-phen)2Br]Br complex is a promising CT-DNA binder with good solvatochromism and good structural optimization.

Synthesis and antiproliferative activity of benzophenone tagged pyridine analogues towards activation of caspase activated DNase mediated nuclear fragmentation in Dalton's lymphoma.

Compounds 8b and 8e show significant antiproliferative activity against Dalton's lymphoma cells by activating caspase-activated DNase, leading to DNA fragmentation and inhibiting tumor growth in a mouse model.

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