6-Bromo-4-oxo-4H-chromene-3-carb-alde-hyde

Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 16;70(Pt 5):o555. doi: 10.1107/S160053681400796X. eCollection 2014 May 1.

Abstract

In the title compound, C10H5BrO3, a brominated 3-formyl-chromone 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, mol-ecules 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]. Mol-ecules are assembled into layers parallel to (101) via π-π stacking inter-actions along the b axis [shortest centroid-centroid distance between the pyran and benzene rings = 3.495 (2) Å].