Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)


organic compounds



tk5306 scheme

Acta Cryst. (2014). E70, o555    [ doi:10.1107/S160053681400796X ]

6-Bromo-4-oxo-4H-chromene-3-carb­alde­hyde

Y. Ishikawa

Abstract: In the title compound, C10H5BrO3, a brominated 3-formyl­chromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, mol­ecules are linked through halogen bonds [Br...O = 3.191 (2) Å, C-Br...O = 167.32 (10)° and C=O...Br = 168.4 (2)°] along [101]. Mol­ecules are assembled into layers parallel to (101) via [pi]-[pi] stacking inter­actions along the b axis [shortest centroid-centroid distance between the pyran and benzene rings = 3.495 (2) Å].

CCDC reference: 996416


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