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

Acta Crystallographica Section E: Crystallographic Communications

Ishikawa, Y.¹ 

[1] School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku Shizuoka 422-8526, Japan

关键词: CRYSTAL STRUCTURE;    [PI]-[PI] STACKING;    HYDROGEN BOND;    HALOGEN BOND;   

DOI  :  10.1107/S2056989016016972

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C10H5IO3, an iodinated 3-formyl­chromone 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, mol­ecules are linked through stacking inter­actions [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.

【 授权许可】

CC BY