Crystal structure of 7,8-di-chloro-4-oxo-4H-chromene-3-carbaldehyde.

ABSTRACT: In the title compound, C10H4Cl2O3, a dichlorinated 3-formyl-chromone derivative, the fused-ring system is slightly puckered [dihedral angle between the benzene and pyran rings = 3.66 (10)°]. The dihedral angle between the pyran ring and the formyl plane is 8.64 (7)°. In the crystal, mol-ecules are linked through π-π stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.727 (2) Å], C-H⋯O hydrogen bonds and short C⋯O contacts [2.838 (4) Å]. Halogen bonds between the formyl O atoms and the Cl atoms at the 7-position [Cl⋯O = 2.984 (3) Å, C-Cl⋯O = 170.83 (12)° and Cl⋯O-C = 116.05 (19)°] are also formed along the a axis, resulting in helical structures constructed by C-H⋯O hydrogen bonds and Cl⋯O halogen bonds along the b axis. In addition, type II halogen-ha

SUBMITTER: Ishikawa Y 

PROVIDER: S-EPMC4571352 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature