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6,8-Di-bromo-3-nitro-2-phenyl-2H-chromene.

ABSTRACT: In the title compound, C15H9Br2NO3, the chromene unit is not quite planar (r.m.s. deviation from planarity = 0.0888?Å). The di-hydro-pyran ring adopts an envelope conformation with the phenyl-substituted C atom fused to the di-hydro-pyran ring as the flap. The dihedral angle between the plane defined by this C atom and the adjacent C and O atoms and the mean plane of the di-hydro-pyran ring excluding the phenyl-substituted C atom is 25.1?(3)°. The dihedral angle between the mean plane of the chromene unit and the phenyl ring is 85.7?(1)°. The crystal structure features C-H?O hydrogen bonds and Br?O contacts [3.289?(3)?Å] involving the nitro O atoms.

SUBMITTER: Yan LJ

PROVIDER: S-EPMC3685035 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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6,8-Di-bromo-3-nitro-2-phenyl-2H-chromene.

Yan Lin-Jie LJ Zhang Sheng-Yong SY

Acta crystallographica. Section E, Structure reports online 20130511 Pt 6

In the title compound, C15H9Br2NO3, the chromene unit is not quite planar (r.m.s. deviation from planarity = 0.0888 Å). The di-hydro-pyran ring adopts an envelope conformation with the phenyl-substituted C atom fused to the di-hydro-pyran ring as the flap. The dihedral angle between the plane defined by this C atom and the adjacent C and O atoms and the mean plane of the di-hydro-pyran ring excluding the phenyl-substituted C atom is 25.1 (3)°. The dihedral angle between the mean plane of the chr ...[more]

PMID: 23795054

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