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 π–π stacking interactions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.495 (2) Å].
Highlights
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
Molecules are linked through halogen bonds [Br O = 3.191 (2) Å, C—
The objective of this study is to reveal whether halogen bond(s) can be formed in the crystal structure of the title compound with the bromine atom at 6-position and without a halogen atom at 8-position
Summary
R factor = 0.030; wR factor = 0.077; data-to-parameter ratio = 15.2. 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. Molecules are linked through halogen bonds [Br O = 3.191 (2) Å, C—. Molecules are assembled into layers parallel to (101) via
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