Crystal Structure Analysis of Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3Hchromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate

Abstract

The crystal structure of the potential active Methyl 8-bromo-3-phenyl-5a,9a-dihydro-3H-chromen [4,3-c][1,2] isoxazole-3a(4H)-carboxylate ($C_{18}H_{15}BrNO_4$ 수식 이미지) has been determined from single crystal X-ray diffraction technique. The title compound crystallizes in the triclinic space group Pī with unit cell dimension a=8.3129 (3) ${\AA}$ 수식 이미지, b=9.5847 (4) ${\AA}$ 수식 이미지 and c=11.1463(4) ${\AA}$ 수식 이미지 [${\alpha}=98.457(3)^{\circ}$ 수식 이미지, ${\beta}=102.806(2)^{\circ}$ 수식 이미지 and ${\gamma}=105.033(5)^{\circ}$ 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. In the crystal, molecules are linked via pairs of inter molecular $C-H{\ldots}O$ 수식 이미지 hydrogen bonds to form dimmers.