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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.

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Authors and Affiliations

  1. Herzen State Pedagogical University of Russia, nab. reki Moiki 48, St. Petersburg, 191186, Russia

    V. M. Berestovitskaya, R. I. Baichurin, N. I. Aboskalova & E. V. Trukhin

  2. Kazan Federal University, Kazan, Tatarstan, Russia

    D. R. Islamov

  3. Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center, Russian Academy of Sciences, ul. Akademika Arbuzova 8, Kazan, Tatarstan, 420088, Russia

    O. N. Kataeva

Authors
  1. V. M. Berestovitskaya
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  2. R. I. Baichurin
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  3. D. R. Islamov
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  4. O. N. Kataeva
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  5. N. I. Aboskalova
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  6. E. V. Trukhin
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Corresponding author

Correspondence to V. M. Berestovitskaya.

Additional information

Original Russian Text © V.M. Berestovitskaya, R.I. Baichurin, D.R. Islamov, O.N. Kataeva, N.I. Aboskalova, E.V. Trukhin, 2016, published in Zhurnal Obshchei Khimii, 2016, Vol. 86, No. 10, pp. 1664–1669.

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Berestovitskaya, V.M., Baichurin, R.I., Islamov, D.R. et al. 3-(4-N,N-dimethylaminophenyl)-2-nitro-1-phenylprop-2-en-1-one by 13C NMR spectroscopy and X-ray diffraction analysis. Russ J Gen Chem 86, 2312–2317 (2016). https://doi.org/10.1134/S107036321610011X

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  • DOI: https://doi.org/10.1134/S107036321610011X

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