Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



pk2489 scheme

Acta Cryst. (2013). E69, o1197    [ doi:10.1107/S1600536813017698 ]

(2S,3R)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5H)-one

Y. Wang, L. Lou, K. Dong and D. Xu

Abstract: The title compound, C14H12BrNO4, has two chiral C atoms. The C atom next to the O atom in the dihydrofuran ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the flap atoms (middle CH2 in cyclohex-2-enone and NO2-substituted C in dihydrofuran) lying 0.612 (3) and 0.295 (2) Å, respectively, from the mean plane of the remaining atoms. The dihedral angle between the mean planes of the furan and benzene rings is 80.0 (3)°. In the crystal, the molecules are linked by C-H...O interactions, generating a three-dimensional network.


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