Synthesis and structure of 1-[(3-hydroxybenzo[b]thiophen-2-yl)methylidene]-3-oxo-5-phenyl-1-pyrazolidinium-2-ide
| Autor: | Alexander D. Dubonosov, Vladimir I. Minkin, Andrey G. Starikov, Gennady V. Shilov, Valery V. Tkachev, S. M. Aldoshin, K. S. Tikhomirova, Vladimir A. Bren, O. S. Popova, Gennadii S. Borodkin, Andrey N. Utenyshev, Yu. V. Revinskii, V. P. Rybalkin |
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| Rok vydání: | 2016 |
| Předmět: |
010405 organic chemistry
Chemistry Hydrogen bond Stereochemistry Intermolecular force Imine chemistry.chemical_element General Chemistry 010402 general chemistry Ring (chemistry) 01 natural sciences Tautomer Medicinal chemistry Oxygen Electron spectroscopy 0104 chemical sciences Crystal chemistry.chemical_compound |
| Zdroj: | Doklady Chemistry. 471:311-313 |
| ISSN: | 1608-3113 0012-5008 |
| Popis: | Potentially tautomeric azomethine imine, 1-[(3-hydroxybenzo[b]thiophen-2-yl)methylidene]-3-oxo-5-phenyl-1-pyrazolidinium-2-ide has been prepared. According to X-ray diffraction, 1H, 13C, and 15N NMR and electronic spectroscopy, the compound exists as 3-hydroxybenzothiophene structure containing intermolecular hydrogen bond between the hydroxy group and the carbonyl oxygen of the pyrazolidone ring in crystal state. Quantum chemical calculations predict the possibility of OH and NH tautomeric forms. |
| Databáze: | OpenAIRE |
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