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(4aR,9R,9aR)-7-Bromo-9-nitro-methyl-2,3,4,4a,9,9a-hexa-hydro-1H-xanthen-1-one.

ABSTRACT: The title compound, C14H14BrNO4, contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclo-hexa-none 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 bromo-phenyl group and with the C atom adjacent to the O atom and fused with the cyclo-hexa-none ring as the flap. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O inter-actions.

SUBMITTER: Wu C

PROVIDER: S-EPMC3648316 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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(4aR,9R,9aR)-7-Bromo-9-nitro-methyl-2,3,4,4a,9,9a-hexa-hydro-1H-xanthen-1-one.

Wu Chao C Guo Yan-Jun YJ Xia Ai-Bao AB

Acta crystallographica. Section E, Structure reports online 20130427 Pt 5

The title compound, C14H14BrNO4, contains a tricyclic ring system including three contiguous stereocenters all of which exhibit an R configuration. The cyclo-hexa-none 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 bromo-phenyl group and with the C atom adjacent to the O atom and fused with the cyclo-hexa-none ring as the flap. In the crystal, mol-ecules are linked into a three-dimensio ...[more]

PMID: 23723936

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