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Crystal structure of 3-acetyl-4H-chromen-4-one (2015)

Ishikawa, Y.

International Union of Crystallography (IUC)

In: Acta Crystallographica Section E

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Publication Date: 2015-07-01

Description: In the title compound, C11H8O3, the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π–π stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C—H...O hydrogen bonds, generating a three-dimensional network.

Keywords: crystal structurechromonehydrogen bondπ–π stacking

Electronic ISSN: 1600-5368

Topics: Chemistry and Pharmacology , Geosciences

Published by International Union of Crystallography (IUC)

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