5-Hydroxy-2-methyl-4H-pyran-4-one

• Main Authors: Bernhard K. Keppler, Ahmad Awan Shafiq, M. Nawaz Tahir, Christian G. Hartinger, Muhammad Ashraf Shaheen
• Format: Article
• Language: English
• Published: International Union of Crystallography 2009-02-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536809003158
• ISSN: 1600-5368

The title compound, C6H6O3, is a member of the pyrone family. The molecules are planar (r.m.s. deviation of the asymmetric unit is 0.0248 Å, whereas that of the dimer is 0.0360 Å) and they are dimerized due to intermolecular O—H...O hydrogen bonds. The dimers are connected to each other through hydrogen bonds involving the CH3 group and the hydroxy O atom. There are π–π interactions between the centroids of the pyrone rings at a distance of 3.8552 (13) Å. A C—H...π interaction also exists between the carbonyl group and the centroid CgA of the pyrone ring, with O...CgA = 3.65 (1) Å and C...CgA = 4.363 (2) Å.