Crystal structure of 7,8-di­chloro-4-oxo-4H-chromene-3-carbaldehyde

Acta Crystallographica Section E: Crystallographic Communications

Ishikawa, Y.¹ 

[1] School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan

关键词: CRYSTAL STRUCTURE;    [PI]-[PI] STACKING;    HYDROGEN BOND;    HALOGEN BOND;    HALOGEN-HALOGEN INTERACTION;   

DOI  :  10.1107/S205698901501275X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C10H4Cl2O3, a dichlorinated 3-formyl­chromone 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, mol­ecules are linked through π–π stacking inter­actions [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–halogen contacts between the chlorine atoms at the 7- and 8-positions [Cl⋯Cl = 3.519 (2) Å, C–Cl⋯Cl = 171.24 (10)° and 88.74 (11)°] are observed.

【 授权许可】

CC BY