Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



fy2092 scheme

Acta Cryst. (2013). E69, o1036    [ doi:10.1107/S1600536813014542 ]

3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one

G.-N. Yu, J.-H. Xia, Z.-H. Xu, L.-B. Wang and C.-Y. Yu

Abstract: In the title compound, C11H11NO3S2, the S-Csp2 bonds are shorter [1.746 (3) and 1.750 (2) Å] than the S-CH3 bonds [1.794 (3) and 1.806 (3) Å], which we attribute to d-[pi] interactions between the S atoms and the C=C bond. The 1,1-bis(methylsulfanyl)-3-oxopropylene fragment and the 4-nitrophenyl group are both almost planar, with the largest deviations from their mean planes being 0.053 (1) and 0.017 (2) Å, respectively. The dihedral angle between the two planes is 35.07 (7)°. Molecules in the crystal are linked into a three-dimensional network by C-H...S and C-H...O hydrogen bonds.


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