Publication Date:
2015-07-18
Description:
In the title compound, C10H6O4, also known as 3-carboxychromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057 Å), with the maximum deviation from their least-squares plane [0.011 (2) Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carboxy group is 3.06 (2)°. An intramolecular hydrogen bond is formed between the ring carbonyl O atom and the carboxy O—H atom, closing an S(6) loop. In the crystal, molecules are assembled by stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.844 (3) Å] and C—H...O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carboxy O and C atoms [C=O...C=O = 3.002 (3) Å].
Keywords:
crystal structurechromonehydrogen bondingstacking interaction
Electronic ISSN:
1600-5368
Topics:
Chemistry and Pharmacology
,
Geosciences
