Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde.

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.

SUBMITTER: Ishikawa Y 

PROVIDER: S-EPMC5137594 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature