X-ray diffraction analysis and spectral studies of new derivatives of pyrazol-5-one |
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| Authors: | M L Kuznetsov V K Bel'skii A I Dement'ev B E Zaitsev B V Lokshin V V Zhornik |
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| Institution: | (1) Moscow Pedagogical State University, 3 Nesvizhskii per, 119021 Moscow, Russian Federation;(2) State Research Center of the Russian Federation “L. Ya. Karpov Scientific-Research Physicochemical Institute,”, 10 ul. Vorontsovo Pole, 103064 Moscow, Russian Federation;(3) Russian Peoples' Friendship University, 3 ul. Ordzhonikidze, 117419 Moscow, Russian Federation;(4) A. N. Nesmeyanov Institute of Organeelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813 Moscow, Russian Federation |
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| Abstract: | The molecular and crystal structures of 4-acetamido-2,3-dimethyl-1-phenylpyrazol-5-one (1) and 4-maleylamido-2,3-dimethyl-l-phenylpyrazol-5-one
(2) were studied. The molecular conformations are stabilizedvia systems of intermolecular hydrogen bonds between the amide groups and the carbonyl oxygen atoms of the pyrazolone rings.
The conformation of compound 2 is additionally stabilizediva an intramolecular interaction between the carboxyl group and the amide oxygen atom. According to the IR spectral data, protonation
of the compounds under study in an acetonitrile solution occurs at the carbonyl oxygen atom of the pyrazolone ring, which
is also confirmed by the UV spectral data.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1286–1292, July, 1999. |
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| Keywords: | pyrazol-5-one derivatives X-ray diffraction analysis IR spectroscopy |
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