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6,8-Di-bromo-4-oxo-4H-chromene-3-carbaldehyde.

ABSTRACT: In the title compound, C10H4Br2O3, the atoms of the 6,8-di-bromo-chromone unit are essentially coplanar [largest deviation from the mean planes = 0.1109?(3)?Å] and the formyl group is twisted slightly with respect to the attached ring [C-C-C-O torsion angles = 11.5?(4) and -168.9?(3)°]. In the crystal, mol-ecules are linked to each other through halogen bonds [Br?O = 3.118?(2)?Å, C-Br?O = 162.37?(8) and C=O?Br = 140.20?(15)°]. The molecules are further assembled via ?-? stacking interactions [centroid-centroid distance = 3.850?(2)?Å].

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC3998586 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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6,8-Di-bromo-4-oxo-4H-chromene-3-carbaldehyde.

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140315 Pt 4

In the title compound, C10H4Br2O3, the atoms of the 6,8-di-bromo-chromone unit are essentially coplanar [largest deviation from the mean planes = 0.1109 (3) Å] and the formyl group is twisted slightly with respect to the attached ring [C-C-C-O torsion angles = 11.5 (4) and -168.9 (3)°]. In the crystal, mol-ecules are linked to each other through halogen bonds [Br⋯O = 3.118 (2) Å, C-Br⋯O = 162.37 (8) and C=O⋯Br = 140.20 (15)°]. The molecules are further assembled via π-π stacking interactions [ce ...[more]

PMID: 24826144

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