Mirkovic, Jelena published the artcileOn the structures of 5-(4-, 3- and 2-methoxyphenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone: An experimental and theoretical study, Name: 2-Cyano-N-ethylacetamide, the publication is Dyes and Pigments (2014), 160-168, database is CAplus.
In this work, a combined exptl. and theor. study on the structures of methoxy substituted 5-phenylazo-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridones has been reported. The dyes under the investigation have been thoroughly characterized. X-ray single-crystal anal. shows that 5-(4-methoxyphenylazo)-3-cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone crystallizes in the hydrazone form. Quantum chem. calculations of energies, geometrical structure and vibrational wavenumbers of the investigated dyes have been performed using d. functional theory. The optimized geometrical parameters obtained by d. functional theory calculations are in good conformity with the single-crystal data. The fundamental vibrational wavenumbers, as well as their intensities have been calculated and a good agreement between observed and scaled calculated wavenumbers has been achieved. Stability of the mol. arising from hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital anal. Vibrational, NMR and natural bond orbital anal. confirm that the prepared dyes exist in the hydrazone tautomeric form in the solid state and DMSO solution
Dyes and Pigments published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Name: 2-Cyano-N-ethylacetamide.
Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics