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

Djedouani, A.; Anak, B.; Tabti, S.; Cleymand, F.; François, M.; Fleutot, S.

doi:10.1107/S2056989018000919

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 3
The frontier molecular orbitals for the two possible tautomeric forms, the keto–amine (NH) and the phenol–imine (OH) forms, of the title Schiff base compound.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 74| Part 2| February 2018| Pages 172-175

https://doi.org/10.1107/S2056989018000919

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