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(2S,3R)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5H)-one
The title compound, C(14)H(12)BrNO(4), has two chiral C atoms. The C atom next to the O atom in the dihydrofuran ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the flap ato...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793709/ https://www.ncbi.nlm.nih.gov/pubmed/24109296 http://dx.doi.org/10.1107/S1600536813017698 |
Sumario: | The title compound, C(14)H(12)BrNO(4), has two chiral C atoms. The C atom next to the O atom in the dihydrofuran ring has an S configuration, while the adjacent chiral C atom has an R configuration. The cyclohex-2-enone and dihydrofuran rings both adopt envelope conformations, with the flap atoms (middle CH(2) in cyclohex-2-enone and NO(2)-substituted C in dihydrofuran) 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 molecules are linked by C—H⋯O interactions, generating a three-dimensional network. |
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