Crystal structure of 3-acetyl-4H-chromen-4-one.
In the title compound, C11H8O3, the fused-ring system is almost planar (r.m.s. deviation = 0.020 Å), with the largest deviation from the least-squares plane [0.0462 (17) Å] being for a pyran C atom. The dihedral angle between the plane of the fused-ring system and acetyl plane is 5.149 (16)°. In the crystal, the fused rings are linked by aromatic π-π stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.643 (6) Å] and C-H⋯O hydrogen bonds, generating a three-dimensional network.
School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.
Yoshinobu
Y
Ishikawa
chromone; crystal structure; hydrogen bond; π–π stacking