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), 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 language | English |
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Pages (from-to) | 322-325 |
Number of pages | 4 |
Journal | Jiegou Huaxue |
Volume | 18 |
Issue number | 5 |
State | Published - 1999 |
Keywords
- Conformation
- Crystal structure
- Enone