Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



fy2090 scheme

Acta Cryst. (2013). E69, o794    [ doi:10.1107/S1600536813008659 ]

(4aR,9R,9aR)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-1-one

C. Wu, Y.-J. Guo and A.-B. Xia

Abstract: The title compound, C14H14BrNO4, contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclohexanone ring adopts a chair conformation. The central oxane ring assumes a strained envelope conformation, with five of the ring atoms being nearly coplanar with the bromophenyl group and with the C atom adjacent to the O atom and fused with the cyclohexanone ring as the flap. In the crystal, molecules are linked into a three-dimensional network by C-H...O interactions.


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