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

ABSTRACT: In the title compound, C10H5FO3, the non-H atoms of the 8-fluoro-chromone unit are essentially coplanar (r.m.s. deviation = 0.0259?Å), with a largest deviation from the mean plane of 0.0660?(12)?Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [C-C-C-O torsion angles = -11.00?(19) and 170.81?(11)°]. In the crystal, mol-ecules are linked via weak C-H?O hydrogen bonds along the a axis and [-101], forming corrugated layers parallel to (010). In addition, ?-? stacking inter-actions [centroid-centroid distance between the planes of the pyran and benzene rings = 3.519?(2)?Å] are observed between these layers.

SUBMITTER: Ishikawa Y

PROVIDER: S-EPMC4120633 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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

Ishikawa Yoshinobu Y

Acta crystallographica. Section E, Structure reports online 20140614 Pt 7

In the title compound, C10H5FO3, the non-H atoms of the 8-fluoro-chromone unit are essentially coplanar (r.m.s. deviation = 0.0259 Å), with a largest deviation from the mean plane of 0.0660 (12) Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [C-C-C-O torsion angles = -11.00 (19) and 170.81 (11)°]. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds along the a axis and [-101], forming corrugated layers parallel to (010). In addit ...[more]

PMID: 25161562

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