Abstract
In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom. In the crystal, molecules are linked through I⋯O halogen bonds [I⋯O = 3.245 (4) Å, C—I⋯O = 165.95 (13) and C=O⋯I = 169.7 (4)°] along [101]. The supramolecular chains are assembled into layers via π–π stacking interactions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.558 (3) Å].
Highlights
In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom
We have recently reported the crystal structures of monohalogenated 3-formylchromone derivatives 6-fluoro-4-oxo-4H-chromene-3-carbaldehyde (Ishikawa, 2014c, Fig.·3A), 6-chloro-4-oxo-4H-chromene-3-carbaldehyde (Ishikawa, 2014a, Fig.·3B), and 6-bromo-4-oxo-4H-chromene-3carbaldehyde (Ishikawa, 2014b, Fig.·3C)
The objective of this study is to reveal whether halogen bond(s) can be formed in the crystal structure of the title compound with the iodine atom in the 6-position
Summary
R factor = 0.039; wR factor = 0.104; data-to-parameter ratio = 16.1. C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0259 Å), with the largest deviation from the least-squares plane [0.056 (5) Å] being found for the formyl O atom. Molecules are linked through I O halogen bonds [I O = 3.245 (4) Å, C—. The supramolecular chains are assembled into layers via – stacking interactions along the b axis [shortest centroid–
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