Synthesis and Crystal Structure of (Z)-4-(p-Bromo phenylthio)-3- (p-nitrobenzoyloxy)-3-buten-2-one

Ji De Liu, Ye Gao Yin, Joaquín Tamaríz

Research output: Contribution to journalArticle


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), 6=12.804(1), c=20. 998(2) Å, β= 94. 884(9)°, V=1717. 1(3) Å3, Z=4, Dc= 1. 633 g/cm3, μ(MoKα) = 2. 542 mm-1, F(000) = 848. Final R=0. 0428 and ωR= 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.
Original languageAmerican English
Pages (from-to)322-325
Number of pages289
JournalJiegou Huaxue
StatePublished - 1 Dec 1999


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