P. Malathy, P. Sharmila, J. Srinivasan
Jun 30, 2016
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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 ) 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) Å, b=9.5847 (4) Å and c= 11.1463(4) Å [ α = 98.457(3)°, β = 102.806(2)° and γ = 105.033(5)°]. 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…O hydrogen bonds to form dimmers.