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Crystal Structure Analysis of 6-Ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile

  • Malathy, P. (CAS in Crystallography and Biophysics, University of Madras) ;
  • Sharmila, P. (Department of Physics, Presidency College) ;
  • Srinivasan, J. (Department of Organic Chemistry, University of Madras) ;
  • Manickam, Bakthadoss (Department of Organic Chemistry, University of Madras) ;
  • Aravindhan, S. (Department of Physics, Presidency College)
  • Received : 2016.05.02
  • Accepted : 2016.06.25
  • Published : 2016.06.30

Abstract

The crystal structure of the potential active 6-ethoxy-3-phenyl-5a,9a-dihydro-3H-chromen[4,3-c][1,2]oxazole-3a(4H)-carbonitrile ($C_{19}H_{15}N_2O_3$) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a= 29.3026(9) ${\AA}$, b= 6.7695(2) ${\AA}$ and c= 19.7597(6) ${\AA}$ [${\alpha}= 90^{\circ}$, ${\beta}= 125.709(10)^{\circ}$ and ${\gamma}= 90^{\circ}$]. Single crystals suitable for X-ray diffraction were obtained by slow evaporation method, the isoxazole and six membered pyran rings adopts envelope conformation. The crystal packing of the molecules is stabilized by the weak $C-H{\ldots}N$ hydrogen bond interaction.

Keywords

References

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