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

Ishikawa Y - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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 addition, π-π stacking inter-actions [centroid-centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers.

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Affiliation: School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.

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, π-π stacking inter-actions [centroid-centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers.

No MeSH data available.


Related in: MedlinePlus

A crystal packing view of the title compound. Intermolecular C–H···O hydrogen bonds are represented by dashed lines.
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Fap2: A crystal packing view of the title compound. Intermolecular C–H···O hydrogen bonds are represented by dashed lines.


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

Ishikawa Y - Acta Crystallogr Sect E Struct Rep Online (2014)

A crystal packing view of the title compound. Intermolecular C–H···O hydrogen bonds are represented by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120633&req=5

Fap2: A crystal packing view of the title compound. Intermolecular C–H···O hydrogen bonds are represented by dashed lines.
Bottom Line: 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 addition, π-π stacking inter-actions [centroid-centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.

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, π-π stacking inter-actions [centroid-centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers.

No MeSH data available.


Related in: MedlinePlus