3-(4-N,N-dimethylaminophenyl)-2-nitro-1-phenylprop-2-en-1-one by 13C NMR spectroscopy and X-ray diffraction analysis


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Abstract

X-ray diffraction analysis established that 3-(4-N,N-dimethylaminophenyl)-2-nitro-1-phenylprop-2-en-1-one has E configuration both in crystal and in solution. The benzoyl group deviates from the styrene plane by 89.83°. The elongation of the C=C bond and shortening of its surrounding single bonds points to a high polarization of the molecule, implying a great contribution of the bipolar structure to the ground state.

About the authors

V. M. Berestovitskaya

Herzen State Pedagogical University of Russia

Author for correspondence.
Email: kohrgpu@yandex.ru
Russian Federation, nab. reki Moiki 48, St. Petersburg, 191186

R. I. Baichurin

Herzen State Pedagogical University of Russia

Email: kohrgpu@yandex.ru
Russian Federation, nab. reki Moiki 48, St. Petersburg, 191186

D. R. Islamov

Kazan Federal University

Email: kohrgpu@yandex.ru
Russian Federation, Kazan, Tatarstan

O. N. Kataeva

Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center

Email: kohrgpu@yandex.ru
Russian Federation, ul. Akademika Arbuzova 8, Kazan, Tatarstan, 420088

N. I. Aboskalova

Herzen State Pedagogical University of Russia

Email: kohrgpu@yandex.ru
Russian Federation, nab. reki Moiki 48, St. Petersburg, 191186

E. V. Trukhin

Herzen State Pedagogical University of Russia

Email: kohrgpu@yandex.ru
Russian Federation, nab. reki Moiki 48, St. Petersburg, 191186


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