Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



kp2448 scheme

Acta Cryst. (2013). E69, o716    [ doi:10.1107/S1600536813009653 ]

rac-3-(4-Chlorophenyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile

S. Paramasivam, J. Srinivasan, P. R. Seshadri and M. Bakthadoss

Abstract: The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran ring and the isoxazole ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 4.17 (5)°. The molecular conformation features a weak C-H...O contact. In the crystal, C-H...O hydrogen bonds link the molecules, forming chains along the a-axis direction.


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[ doi:10.1107/S1600536813009653/kp2448Isup3.cml ]
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