A new enone (CH 3CO C( p NO 2C 6H 4COO)=CH S C 6H 4( p Br) 5, C 17 H 12 NBrO 5S, M r =422.25) was synthesized and its crystal structure was determined by X ray diffraction method. The crystal belongs to the monoclinic...A new enone (CH 3CO C( p NO 2C 6H 4COO)=CH S C 6H 4( p Br) 5, C 17 H 12 NBrO 5S, M r =422.25) was synthesized and its crystal structure was determined by X ray diffraction method. The crystal belongs to the monoclinic system, space group P2 1/c with a=6.4121(9), b=12.804(1), c=20.998(2) , β=94.884(9)°, V=1717.1(3) 3, Z=4, D c =1.633 g/cm 3, μ (Mo Kα )=2.542 mm -1 , F( 000)=848. Final R =0.0428 and wR =0.0916 for 3335 reflections with I>2σ(I) . The title compound exists as Z isomer with p bromothiophenolate and o nitrobenzoate groups cis arranged around asymmetrical centre. This observation suggests that the substitution of thiophenolate for bromine is a stereoselective step.展开更多
文摘A new enone (CH 3CO C( p NO 2C 6H 4COO)=CH S C 6H 4( p Br) 5, C 17 H 12 NBrO 5S, M r =422.25) was synthesized and its crystal structure was determined by X ray diffraction method. The crystal belongs to the monoclinic system, space group P2 1/c with a=6.4121(9), b=12.804(1), c=20.998(2) , β=94.884(9)°, V=1717.1(3) 3, Z=4, D c =1.633 g/cm 3, μ (Mo Kα )=2.542 mm -1 , F( 000)=848. Final R =0.0428 and wR =0.0916 for 3335 reflections with I>2σ(I) . The title compound exists as Z isomer with p bromothiophenolate and o nitrobenzoate groups cis arranged around asymmetrical centre. This observation suggests that the substitution of thiophenolate for bromine is a stereoselective step.
