Crystal and molecular structure of 2-methylamino-4-thiazolinone

  • A. A. Espenbetov
  • L. G. Kuz'mina
  • Yu. T. Struchkov
  • I. B. Levshin
  • K. A. V'yunov
  • A. I. Ginak
Physical Chemistry

Conclusions

An x-ray diffraction structural analysis showed that 2-methylamino-4-thiazolinone in the crystal exists as the amine tautomer and forms centrosymmetric dimers due to N2-H(N2)...N1 hydrogen bonds. An intermolecular S...O' contact is found in the direction close to the extension of the S-C1 bond. The methyl group is in the s-cis position relative to the sulfur atom. Significant Π-electron delocalization is found over the\(N^2 \underline \cdots C^1 \underline \cdots N^1 \underline \cdots C^2 .\)

Keywords

Hydrogen Sulfur Methyl Hydrogen Bond Molecular Structure 

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Copyright information

© Plenum Publishing Corporation 1987

Authors and Affiliations

  • A. A. Espenbetov
    • 1
    • 2
  • L. G. Kuz'mina
    • 1
    • 2
  • Yu. T. Struchkov
    • 1
    • 2
  • I. B. Levshin
    • 1
    • 2
  • K. A. V'yunov
    • 1
    • 2
  • A. I. Ginak
    • 1
    • 2
  1. 1.Institute of Heteroorganic CompoundsAcademy of Sciences of the USSRMoscow
  2. 2.Sergo Ordzhonikidze All-Union Pharmaceutical Chemistry Research InstituteMoscow

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