Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



fy2101 scheme

Acta Cryst. (2013). E69, o1270    [ doi:10.1107/S160053681301920X ]

(2S,3S)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5H)-one

Y. Wang, M. Yao, K. Dong and D. Xu

Abstract: The title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the quaternary C atom and the nitro-substituted C atoms as the respective flap. The flap atoms lie 0.607 (3) and -0.253 (2) Å, respectively, from the mean plane of the remaining ring atoms on opposite sides. The dihedral angle between the mean plane of the four coplanar atoms of the dihydrofuran ring and the phenyl ring is 86.16 (3)°. In the crystal, molecules are linked by weak C-H...O interactions, forming a ladder motif parallel to the b axis.


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