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Updated: Mar 10, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
1School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku Shizuoka 422-8526, Japan.
Abstract:
In the title compound, C10H5IO3, an iodinated 3-formyl-chromone 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, mol-ecules are linked through stacking inter-actions [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.
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