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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...

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Detalles Bibliográficos
Autor principal: Ishikawa, Yoshinobu
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
Descripción
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.