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Journal of Chemical Crystallography

, Volume 39, Issue 6, pp 466–468 | Cite as

3-Methyl-3a,4-Dihydro-3H-Thiochromeno[4,3-c]isoxazol

  • Brahim Bennani
  • Abdelali Kerbal
  • Brahim El-Bali
  • Michael Bolte
Communication
  • 33 Downloads

Abstract

The crystal structure of the title compound, C11H11NOS, was determined by an X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/c with cell parameters a = 10.533(2) Å, b = 12.7826(19) Å, c = 7.6491(17) Å, β = 107.997(17)°, V = 979.5(3) Å3 and Z = 4. The S containing heterocycle adopts a sofa conformation, whereas the 5-membered ring adopts an envelope conformation. The crystal packing is characterized by weak C–H···N contacts and π-stacking interactions.

Graphical Abstract

The title compound, 3-methyl-3a,4-dihydro-3H-thiochromeno[4,3-c]isoxazol was synthesized by an 1,3 dipolar cycloaddition reaction and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that the aromatic 6-membered ring is planar, whereas the ring containing the S atom adopts a sofa conformation and the 5-membered ring an envelope conformation. The methyl group is in an equatorial position.

Keywords

Cycloaddition reaction Single crystal structure Weak hydrogen bond π-Stacking interaction 

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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  • Brahim Bennani
    • 1
  • Abdelali Kerbal
    • 1
  • Brahim El-Bali
    • 2
  • Michael Bolte
    • 3
  1. 1.Laboratoire de Chimie Organique, Faculté des Sciences, Dhar El MahrazUniversité Sidi Mohammed Ben AbdelahFésMorocco
  2. 2.Laboratory of Mineral Solid and Analytical Chemistry, Department of Chemistry, Faculty of SciencesUniversity Mohamed IOujdaMorocco
  3. 3.Institut für Anorganische ChemieJ. W. Goethe-Universität FrankfurtFrankfurt/MainGermany

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