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Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure

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Abstract

Three-component condensation of benzylideneacetone, ethyl acetoacetate, and malononitrile in the 1:1:1 molar ratio, respectively, in the presence of equimolar quantities of piperidine and glacial acetic acid is studied. The crystal structure of the reaction product (ethyl-2-dicyanomethylene-4-methyl-6-phenyl-3-cyclohexene-1-carboxylate) determined from XRD data by the method of atom-atom potentials contains energy traps in the form of double planar and double two-sided catchers. The energy traps lead to molecular agglomerates occurring in the crystal in the form of slightly deformed translationally identical hexagonal networks.

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Funding

This work was supported by the RFBR (grants No. 17-02-00835-a and No. 17-42-330787 р-а).

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Authors and Affiliations

  1. Baku State University, Baku, Republic of Azerbaijan

    A. I. Ismiev & A. M. Maharramov

  2. Vladimir State University, Vladimir, Russia

    K. A. Potekhin & A. V. Maleev

Authors
  1. A. I. Ismiev
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  2. K. A. Potekhin
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  3. A. V. Maleev
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  4. A. M. Maharramov
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Corresponding author

Correspondence to A. V. Maleev.

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Conflict of Interests

The authors declare that they have no conflict of interests.

Russian Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 12, pp. 1980-1990.

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Ismiev, A.I., Potekhin, K.A., Maleev, A.V. et al. Synthesis of Ethyl-2-Dicyanomethylene-4-Methyl-6-Phenyl-3-Cyclohexene-1-Carboxylate and Molecular Agglomerates in Its Crystal Structure. J Struct Chem 60, 1896–1905 (2019). https://doi.org/10.1134/S0022476619120059

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  • DOI: https://doi.org/10.1134/S0022476619120059

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