Cargando…
Crystal structure of 8-bromo-4-oxo-4H-chromene-3-carbaldehyde
In the title compound, C(10)H(5)BrO(3), a brominated 3-formylchromone, all atoms are essentially coplanar (r.m.s. = 0.0104 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.028 (5) Å] being for one of the benzene C atoms. In the crystal, molecules are linked throug...
Autor principal: | |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571403/ https://www.ncbi.nlm.nih.gov/pubmed/26396803 http://dx.doi.org/10.1107/S2056989015013250 |
Sumario: | In the title compound, C(10)H(5)BrO(3), a brominated 3-formylchromone, all atoms are essentially coplanar (r.m.s. = 0.0104 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.028 (5) Å] being for one of the benzene C atoms. In the crystal, molecules are linked through C—H⋯O hydrogen bonds, which are further assembled by face-to-face π–π stacking interactions [centroid–centroid distance between the pyran rings = 3.854 (4) Å]. Shorter contacts than the sum of van der Waals radii are observed between the Br and formyl O atoms [Br⋯O = 3.046 (4) Å, C—Br⋯O = 175.23 (18)° and Br⋯O—C = 132.6 (3)°], features that do indicate halogen bonding. |
---|