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Crystal structure of 8-bromo-4-oxo-4H-chromene-3-carbaldehyde (2015)

Ishikawa, Y.

International Union of Crystallography (IUC)

In: Acta Crystallographica Section E

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Publication Date: 2015-07-16

Description: In the title compound, C10H5BrO3, a brominated 3-formylchromone, all atoms are essentially coplanar (r.m.s. = 0.0104 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.028 (5) Å] being for one of the benzene C atoms. In the crystal, molecules are linked through C—H...O hydrogen bonds, which are further assembled by face-to-face π–π stacking interactions [centroid–centroid distance between the pyran rings = 3.854 (4) Å]. Shorter contacts than the sum of van der Waals radii are observed between the Br and formyl O atoms [Br...O = 3.046 (4) Å, C—Br...O = 175.23 (18)° and Br...O—C = 132.6 (3)°], features that do indicate halogen bonding.

Keywords: crystal structurechromonehydrogen bondinghalogen bondingπ–π stacking

Electronic ISSN: 1600-5368

Topics: Chemistry and Pharmacology , Geosciences

Published by International Union of Crystallography (IUC)

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