1. 3-Methyl-3a,4-Dihydro-3H-Thiochromeno[4,3-c]isoxazol.
- Author
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Brahim Bennani, Abdelali Kerbal, Brahim El-Bali, and Michael Bolte
- Subjects
OXAZOLES ,MOLECULAR structure ,X-ray diffraction ,CONFORMATIONAL analysis ,RING formation (Chemistry) ,ORGANIC synthesis - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2009
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