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

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 ($C_{19}H_{15}N_2O_3$ 수식 이미지) 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) ${\AA}$ 수식 이미지, b= 6.7695(2) ${\AA}$ 수식 이미지 and c= 19.7597(6) ${\AA}$ 수식 이미지 [${\alpha}= 90^{\circ}$ 수식 이미지, ${\beta}= 125.709(10)^{\circ}$ 수식 이미지 and ${\gamma}= 90^{\circ}$ 수식 이미지]. 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 $C-H{\ldots}N$ 수식 이미지 hydrogen bond interaction.