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Crystal structure and DFT study of the zwitterionic form of 3-{(E)-1-[(4-ethoxyphenyl)iminiumyl]ethyl}-6-methyl-2-oxo-2H-pyran-4-olate
The title Schiff base compound, C(16)H(17)NO(4), crystallizes as a zwitterion, with the phenolic H atom having been transferred to the imino group. The resulting iminium and hydroxy groups are linked by an intramolecular N—H⋯O hydrogen bond, enclosing an S(6) ring motif. The conformation about the...
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| Gepubliceerd in: | Acta Crystallogr E Crystallogr Commun |
|---|---|
| Hoofdauteurs: | , , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
International Union of Crystallography
2018
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5956330/ https://ncbi.nlm.nih.gov/pubmed/29850047 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989018000919 |
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