| Abstract: | A new enone (CH3CO-C(p-NO2C6H4COO)=CH-S-C6H4(p-Br) 5, C17H12NBrO5S, Mr=422.25) was synthesized and its crystal structure was determined by X-ray diffraction method. The crystal belongs to the monoclinic system, space group P21/c with a=6.4121(9), b=12.804(1), c=20.998(2)(A), β=94.884(9)°, V=1717.1(3)(A)3, Z=4, Dc=1.633 g/cm3, μ(MoKα)=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. |
