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Journal of Structural Chemistry

, Volume 59, Issue 8, pp 1911–1917 | Cite as

Synthesis, Molecular and Crystal Structure of Ethyl-4,6(R,S)-Diphenyl-2-Dicyanomethylenecyclohex-3-Ene-1(R,S)-Carboxylate

  • A. I. Ismiev
  • K. A. Potekhin
  • A. V. MaleevEmail author
  • R. K. Askerov
  • A. M. Maharramov
Article
  • 6 Downloads

Abstract

We report a novel three-component condensation of benzalacetophenone, ethyl acetoacetate, and malonodinitrile in a 1:1:1 molar ratio respectively, involving an equimolar amount of morpholine acetate to form ethyl-4,6(R,S)-diphenyl-2-dicyanomethylenecyclohex-3-ene-1(R,S)-carboxylate whose crystal structure is determined by single crystal XRD. The intermolecular interaction is analyzed using an atomatom potential model, and infinite chains of energetically tightly coupled molecules in the crystal structure are identified and described. A weak hydrogen bond of the CAr–H…O type is found.

Keywords

multicomponent condensation ethyl acetoacetate benzalacetophenone 1,3-dicarbonyl compounds malonodinitrile molecular agglomerates atom-atom potentials 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • A. I. Ismiev
    • 1
  • K. A. Potekhin
    • 2
  • A. V. Maleev
    • 2
    Email author
  • R. K. Askerov
    • 1
  • A. M. Maharramov
    • 1
  1. 1.Baku State UniversityBakuRepublic of Azerbaijan
  2. 2.Vladimir State UniversityVladimirRussia

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