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X-ray structure and NMR assignment of 3,4-dimethylthioquinoline

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Abstract

The title compound (C11H11NS2) is monoclinic:P21/c,a=15.200(4),b=14.644(4),c=10.098(3),Z=8. The structure was solved by direct methods, and refined to anR value of 0.047 with 2886 independent reflections. There are two nonequivalent molecules in the unit cell. BothS-methyl groups have different spatial orientation: theβ-methyl group side-chain is approximately coplanar with the pyridine ring and turned to the ortho-position, but γ-methyl group side-chain is turned over this ring. Both1H and13C NMR spectra were assigned using 1D and 2D experiments. The NOE measurements are consistent with inter-proton distances from X-ray data.

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Authors and Affiliations

  1. Department of Organic Chemistry, Silesian School of Medicine, Jagiellońska Str. 4, 41-200, Sosnowiec, Poland

    Andrzej Maślankiewicz & Mirosław Wyszomirski

  2. Institute of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383, Wrocław, Poland

    Tadeusz Głowiak

  3. Department of Organic Chemistry, University of Uppsala, Box 531, S-751 21, Uppsala, Sweden

    Adolf Gogoll

Authors
  1. Andrzej Maślankiewicz
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  2. Mirosław Wyszomirski
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  3. Tadeusz Głowiak
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  4. Adolf Gogoll
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Part XV in the series of Azinyl sulfides.

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Maślankiewicz, A., Wyszomirski, M., Głowiak, T. et al. X-ray structure and NMR assignment of 3,4-dimethylthioquinoline. Journal of Crystallographic and Spectroscopic Research 21, 559–565 (1991). https://doi.org/10.1007/BF01161077

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  • DOI: https://doi.org/10.1007/BF01161077

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