5-Hydroxy-2-methyl-4H-pyran-4-one
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...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809003158 |
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doaj-93b3704e25234863b9a3f71d1ed4606d2020-11-25T00:49:44ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-02-01652o437o43710.1107/S16005368090031585-Hydroxy-2-methyl-4H-pyran-4-oneBernhard K. KepplerAhmad Awan ShafiqM. Nawaz TahirChristian G. HartingerMuhammad Ashraf ShaheenThe 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.http://scripts.iucr.org/cgi-bin/paper?S1600536809003158 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Bernhard K. Keppler Ahmad Awan Shafiq M. Nawaz Tahir Christian G. Hartinger Muhammad Ashraf Shaheen |
| spellingShingle |
Bernhard K. Keppler Ahmad Awan Shafiq M. Nawaz Tahir Christian G. Hartinger Muhammad Ashraf Shaheen 5-Hydroxy-2-methyl-4H-pyran-4-one Acta Crystallographica Section E |
| author_facet |
Bernhard K. Keppler Ahmad Awan Shafiq M. Nawaz Tahir Christian G. Hartinger Muhammad Ashraf Shaheen |
| author_sort |
Bernhard K. Keppler |
| title |
5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_short |
5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_full |
5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_fullStr |
5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_full_unstemmed |
5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_sort |
5-hydroxy-2-methyl-4h-pyran-4-one |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2009-02-01 |
| description |
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. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536809003158 |
| work_keys_str_mv |
AT bernhardkkeppler 5hydroxy2methyl4hpyran4one AT ahmadawanshafiq 5hydroxy2methyl4hpyran4one AT mnawaztahir 5hydroxy2methyl4hpyran4one AT christianghartinger 5hydroxy2methyl4hpyran4one AT muhammadashrafshaheen 5hydroxy2methyl4hpyran4one |
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