(2S,3S)-3-(3-Bromo-phen-yl)-6,6-dimethyl-2-nitro-2,3,6,7-tetra-hydro-benzo-furan-4(5H)-one.

ABSTRACT: The title compound, C16H16BrNO4, has two adjacent chiral C atoms and both have an S configuration. The fused cyclo-hex-2-enone and di-hydro-furan 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 di-hydro-furan ring and the phenyl ring is 86.16?(3)°. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming a ladder motif parallel to the b axis.

SUBMITTER: Wang Y 

PROVIDER: S-EPMC3793765 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature