Synthesis and structure of 1-[(3-hydroxybenzo[b]thiophen-2-yl)methylidene]-3-oxo-5-phenyl-1-pyrazolidinium-2-ide |
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| Authors: | O. S. Popova V. A. Bren’ V. V. Tkachev A. N. Utenyshev Yu. V. Revinskii K. S. Tikhomirova V. P. Rybalkin A. G. Starikov G. S. Borodkin A. D. Dubonosov G. V. Shilov S. M. Aldoshin V. I. Minkin |
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| Affiliation: | 1.Institute of Physical and Organic Chemistry,Southern Federal University,Rostov-on-Don,Russia;2.Institute of Problems in Chemical Physics,Russian Academy of Sciences,Chernogolovka, Moscow oblast,Russia;3.Southern Scientific Center,Russian Academy of Sciences,Rostov-on-Don,Russia |
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| Abstract: | 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. |
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