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Molecular and Crystal Structures of 4-Cyano-3(2H)-Furanones and Structural Effects in 1H NMR Spectra

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Abstract

Features of the molecular structure in crystals of a series of functionalized 4-cyano-3(2H)-furanones with a spiro-cyclohexane substituent or two methyl groups at position 2 of the furanone ring and also an aryl or heteroaryl substituent at position 5 are analyzed in comparison with the literature data. Effects appearing in 1H NMR spectra, which are caused by the features of the molecular structures of these compounds are interpreted. Their crystal structure is considered and intermolecular interactions responsible for the supramolecular architecture of the crystals formed are revealed.

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Authors and Affiliations

  1. Favosky Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russia

    A. V. Afonin, A. V. Vashchenko, O. G. Volostnykh, A. V. Stepanov & A. G. Mal’kina

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  1. A. V. Afonin
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  2. A. V. Vashchenko
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  3. O. G. Volostnykh
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  4. A. V. Stepanov
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  5. A. G. Mal’kina
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Correspondence to A. V. Afonin.

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Russian Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 6, pp. 1020–1030.

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The authors declare that they have no conflict of interests.

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10947_2019_1215_MOESM0_ESM.pdf

Supplementary Materials to: Molecular and Crystal Structures of 4-Cyano-3(2H)-Furanones and Structural Effects in 1H NMR Spectra

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Afonin, A.V., Vashchenko, A.V., Volostnykh, O.G. et al. Molecular and Crystal Structures of 4-Cyano-3(2H)-Furanones and Structural Effects in 1H NMR Spectra. J Struct Chem 60, 979–989 (2019). https://doi.org/10.1134/S0022476619060131

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  • DOI: https://doi.org/10.1134/S0022476619060131

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