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http://dx.doi.org/10.13160/ricns.2016.9.2.94

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)
Publication Information
Journal of Integrative Natural Science / v.9, no.2, 2016 , pp. 94-102 More about this Journal
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
Chromen; Pyran; Isoxazole; Single Crystal Structure; X-ray Diffraction;
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