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6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C(10)H(4)ClFO(3), a chlorinated and fluorinated 3-formylchromone 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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120572/ https://www.ncbi.nlm.nih.gov/pubmed/25161600 http://dx.doi.org/10.1107/S1600536814014706 |
Sumario: | In the title compound, C(10)H(4)ClFO(3), a chlorinated and fluorinated 3-formylchromone 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, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H⋯O hydrogen bonds, and short C⋯O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions 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. |
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