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

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 ?-? stacking inter-actions along the b axis [shortest centroid-centroid distance between the pyran and benzene rings = 3.495?(2)?Å].

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4011302 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140416 Pt 5

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 axi ...[more]

PMID: 24860363

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