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6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde.

ABSTRACT: In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formyl-chromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336?Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062?(2)?Å] being for a benzene-ring C atom. In the crystal, mol-ecules are linked through stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.958?(3)?Å and inter-planar distance = 3.259?(3)?Å], C-H?O hydrogen bonds, and short C?O contacts [2.879?(3)?Å]. Unsymmetrical halogen-halogen inter-actions between the Cl and F atoms [Cl?F = 3.049?(3)?Å, C-Cl?F = 148.10?(9)° and C-F?Cl = 162.06?(13)°] are also formed, giving a meandering two-dimensional network along the a axis.

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4120572 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde.

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7

In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formyl-chromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, mol-ecules are linked through stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.958 (3) Å and inter-planar distance = 3.259 (3) Å], C-H⋯O hydrogen bonds, and short C⋯O c ...[more]

PMID: 25161600

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