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X-ray structure and NMR assignment of 3,3′-dimethylthio-4,4′-diquinolinyl sulfide

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Abstract

The title compound (C20H16N2S3) is triclinic, witha=9.494(3)b=9.890(3),c=19.456(5)Å,a=90.26(3)°,°=100.47(3)°, γ=99.18(3)°,Z=4 and space groupP¯1. The structure was solved by direct methods and refined toR=0.045 for 6076 reflections. There are two nonequivalent molecules in the unit cell. Two pairs of sulfur atoms in ortho-positions remain in very close contact. The S-methyl groups are nearly coplanar to the quinoline moieties and turned to the orthoposition, 2. CP MAS spectrum shows two conformers in the solid state but1H and13C NMR spectra in CDCl3 solution show rapid equilibrium of the conformers giving rise to average NMR data.

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Authors and Affiliations

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

    Krystian Pluta & Andrzej Maślankiewicz

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

    Tadeusz Głbwiak

Authors
  1. Krystian Pluta
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  2. Andrzej Maślankiewicz
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  3. Tadeusz Głbwiak
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Part XX in the series of Azinyl Sulfides.

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Pluta, K., Maślankiewicz, A. & Głbwiak, T. X-ray structure and NMR assignment of 3,3′-dimethylthio-4,4′-diquinolinyl sulfide. Journal of Crystallographic and Spectroscopic Research 23, 285–290 (1993). https://doi.org/10.1007/BF01263588

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  • DOI: https://doi.org/10.1007/BF01263588

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