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Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde (2016)

Ishikawa, Y.

International Union of Crystallography (IUC)

In: Acta Crystallographica Section E

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Publication Date: 2016-11-05

Description: In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H...O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1...O3 = 3.056 (2) Å, C6—I1...O3 = 173.18 (8)° and I1...O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to the c axis, constructed by C—H...O hydrogen bonds and I...O halogen bonds.

Keywords: crystal structureπ–π stackinghydrogen bondhalogen bond

Electronic ISSN: 1600-5368

Topics: Chemistry and Pharmacology , Geosciences

Published by International Union of Crystallography (IUC)

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