Abstract
The heterocyclic ring of the title compound, C9H7BrO2, obtained by bromination of 4-chromanone with copper bromide, adopts a half-chair conformation. The supramolecular structure is governed by a weak C—H⋯O hydrogen bond. There is also π–π stacking between symmetry-related benzene rings; the centroid–centroid distance is 3.9464 (18), the perpendicular distance between the rings is 3.4703 (11) and the offset is 1.879 Å.
Highlights
The heterocyclic ring of the title compound, C9H7BrO2, obtained by bromination of 4-chromanone with copper bromide, adopts a half-chair conformation
The supramolecular structure is governed by a weak C—HÁ Á ÁO hydrogen bond
Z=4 Mo K radiation = 4.97 mmÀ1 T = 173 K 0.16 Â 0.12 Â 0.12 mm Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GO2082)
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.004 A; R factor = 0.025; wR factor = 0.061; data-to-parameter ratio = 15.2. The heterocyclic ring of the title compound, C9H7BrO2, obtained by bromination of 4-chromanone with copper bromide, adopts a half-chair conformation. The supramolecular structure is governed by a weak C—HÁ Á ÁO hydrogen bond. There is – stacking between symmetry-related benzene rings; the centroid–centroid distance is 3.9464 (18), the perpendicular distance between the rings is 3.4703 (11) and the offset is 1.879 A
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