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(2S,3R)-3-(2-Bromo-phen-yl)-2-nitro-2,3,6,7-tetra-hydro-1-benzo-furan-4(5H)-one.

ABSTRACT: The title compound, C14H12BrNO4, has two chiral C atoms. The C atom next to the O atom in the di-hydro-furan ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclo-hex-2-enone and di-hydro-furan rings both adopt envelope conformations, with the flap atoms (middle CH2 in cyclo-hex-2-enone and NO2-substituted C in di-hydro-furan) 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 mol-ecules are linked by C-H?O inter-actions, generating a three-dimensional network.

SUBMITTER: Wang Y

PROVIDER: S-EPMC3793709 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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(2S,3R)-3-(2-Bromo-phen-yl)-2-nitro-2,3,6,7-tetra-hydro-1-benzo-furan-4(5H)-one.

Wang Yifeng Y Lou Liuliu L Dong Kun K Xu Danqian D

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8

The title compound, C14H12BrNO4, has two chiral C atoms. The C atom next to the O atom in the di-hydro-furan ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclo-hex-2-enone and di-hydro-furan rings both adopt envelope conformations, with the flap atoms (middle CH2 in cyclo-hex-2-enone and NO2-substituted C in di-hydro-furan) lying 0.612 (3) and 0.295 (2) Å, respectively, from the mean plane of the remaining atoms. The dihedral angle between the mean pl ...[more]

PMID: 24109296

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