Solid-state structures of 2-(4-hydroxyphenyl)-substituted phenalene-1,3-dione and indan-1,3-dione

Solid-state structures of 2-(4-hydroxyphenyl)-substituted phenalene-1,3-dione and indan-1,3-dione

The structure of 2-(4-hydroxyphenyl)-substituted indan-1,3-dione and phenalene-1,3-dione is investigated using a combination of solid-state NMR, single crystal X-ray analyses and quantum chemical calculations. It is shown that 2-(4-hydroxyphenyl)-1,3-indandione exists as a diketo tautomer while 2-(4...

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Veröffentlicht in:Journal of structural chemistry 2014-05, Vol.55 (3), p.446-455
Hauptverfasser: Marinov, M., Stoyanov, N., Ugrinov, A., Angelova, S., Wawer, I., Pisklak, M., Enchev, V.
Format: Artikel
Sprache:eng
Schlagworte:
Atomic
Atomic/Molecular Structure and Spectra
Chemistry
Chemistry and Materials Science
Inorganic Chemistry
Molecular
Optical and Plasma Physics
Physical Chemistry
Solid State Physics
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Zusammenfassung:The structure of 2-(4-hydroxyphenyl)-substituted indan-1,3-dione and phenalene-1,3-dione is investigated using a combination of solid-state NMR, single crystal X-ray analyses and quantum chemical calculations. It is shown that 2-(4-hydroxyphenyl)-1,3-indandione exists as a diketo tautomer while 2-(4-hydroxyphenyl)-1,3-phenalenedione exists in the enol form.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476614030081