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Journal of Structural Chemistry

, Volume 59, Issue 7, pp 1580–1587 | Cite as

An XRD Study of Molecular and Crystalline Structures of (Z)-3-(Benzoxazol-2-Ylthio)-3-Phenyl-2-Propenonitrile and an 1H NMR Study of Its E/Z Isomerization in Solutions

  • A. V. AfoninEmail author
  • A. V. Vashchenko
  • L. P. Nikitina
  • A. G. Mal’kina
Article
  • 7 Downloads

Abstract

According to X-ray diffraction data, crystalline 3-(benzoxazol-2-ylthio)-3-phenyl-2-propenonitrile is a substantially nonplanar Z-isomer. The resulting single crystal has layered structure as a result of ππ stacking. 1H NMR data testify small amounts of E-isomer in the samples dissolved in chloroform.

Keywords

(Z)-3-(benzoxazol-2-ylthio)-3-phenyl-2-propenonitrile X-ray diffraction analysis 1H NMR spectroscopy E/Z isomerization 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • A. V. Afonin
    • 1
    Email author
  • A. V. Vashchenko
    • 1
  • L. P. Nikitina
    • 1
  • A. G. Mal’kina
    • 1
  1. 1.A. E. Favorsky Irkutsk Institute of ChemistrySiberian Branch of the Russian Academy of SciencesIrkutskRussia

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