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3-Bromo-chroman-4-one.

ABSTRACT: The heterocyclic ring of the title compound, C9H7BrO2, obtained by bromination of 4-chromanone with copper bromide, adopts a half-chair conformation. The supramol-ecular structure is governed by a weak C-H?O hydrogen bond. There is also ?-? 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.

SUBMITTER: Shaikh MM

PROVIDER: S-EPMC3629513 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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3-Bromo-chroman-4-one.

Shaikh Mahidansha M MM Koorbanally Neil A NA Du Toit Karen K Ramjugernath Deresh D Bodenstein Johannes J

Acta crystallographica. Section E, Structure reports online 20130302 Pt 4

The heterocyclic ring of the title compound, C9H7BrO2, obtained by bromination of 4-chromanone with copper bromide, adopts a half-chair conformation. The supramol-ecular 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. ...[more]

PMID: 23634031

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