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6-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 = 0.0259?Å), with the largest deviation from the least-squares plane [0.056?(5)?Å] being found for the formyl O atom. In the crystal, mol-ecules 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 supra-molecular chains are assembled into layers via ?-? stacking inter-actions along the b axis [shortest centroid-centroid distance between the pyran and benzene rings = 3.558?(3)?Å].

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4120610 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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6-Iodo-4-oxo-4H-chromene-3-carbaldehyde.

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140604 Pt 7

In the title compound, C10H5IO3, an iodinated 3-formyl-chromone 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, mol-ecules 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 supra-molecular chains are assembled into layers via π-π stacking inter-actions along the b axis [shor ...[more]

PMID: 25161541

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