SOLID-STATE STRUCTURES OF 2-(4-HYDROXYPHENYL)-SUBSTITUTED PHENALENE-1,3-DIONE AND INDAN-1,3-DIONE
M. Marinov1, N. Stoyanov2, A. Ugrinov3, S. Angelova4, I. Wawer5, M. Pisklak5, V. Enchev4
1Agricultural University, Plovdiv, Bulgaria
2University of Ruse, Bulgaria
3North Dakota State University, Fargo, North Dakota, United States
4Institute of Organic Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria
5Medical University of Warsaw, Warsaw, Poland
Keywords: 2-(4-hydroxyphenyl)-phenalene-1,3-dione, 2-(4-hydroxyphenyl)-indan-1,3-dione, solid-state NMR, X-ray, quantum chemical calculations
Abstract
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.
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