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6-Fluoro-4-oxo-4H-chromene-3-carbalde-hyde.

ABSTRACT: In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071?Å), with the largest deviation from the mean plane [0.0203?(15)?Å] being found for the ring C atom in the 2-position. In the crystal, mol-ecules are linked into a three-dimensional architecture via C-H?O hydrogen bonds and ?-? stacking inter-actions between the chromone units along the a-axis direction [centroid-centroid distance between the benzene and pyran rings = 3.707?(2)?Å].

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4011281 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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6-Fluoro-4-oxo-4H-chromene-3-carbalde-hyde.

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140418 Pt 5

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, mol-ecules are linked into a three-dimensional architecture via C-H⋯O hydrogen bonds and π-π stacking inter-actions between the chromone units along the a-axis direction [centroid-centroid distance between the benzene and pyran rings = 3.707 (2) Å]. ...[more]

PMID: 24860383

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