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5-Hydroxy-2-methyl-4H-pyran-4-one
The title compound, C(6)H(6)O(3), 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 throug...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968215/ https://www.ncbi.nlm.nih.gov/pubmed/21582022 http://dx.doi.org/10.1107/S1600536809003158 |
| _version_ | 1782189807817981952 |
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| author | Shaheen, Muhammad Ashraf Hartinger, Christian G. Tahir, M. Nawaz Shafiq, Ahmad Awan Keppler, Bernhard K. |
| author_facet | Shaheen, Muhammad Ashraf Hartinger, Christian G. Tahir, M. Nawaz Shafiq, Ahmad Awan Keppler, Bernhard K. |
| author_sort | Shaheen, Muhammad Ashraf |
| collection | PubMed |
| description | The title compound, C(6)H(6)O(3), 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 CH(3) 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. |
| format | Text |
| id | pubmed-2968215 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29682152010-12-30 5-Hydroxy-2-methyl-4H-pyran-4-one Shaheen, Muhammad Ashraf Hartinger, Christian G. Tahir, M. Nawaz Shafiq, Ahmad Awan Keppler, Bernhard K. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(6)H(6)O(3), 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 CH(3) 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. International Union of Crystallography 2009-01-31 /pmc/articles/PMC2968215/ /pubmed/21582022 http://dx.doi.org/10.1107/S1600536809003158 Text en © Shaheen et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Shaheen, Muhammad Ashraf Hartinger, Christian G. Tahir, M. Nawaz Shafiq, Ahmad Awan Keppler, Bernhard K. 5-Hydroxy-2-methyl-4H-pyran-4-one |
| title | 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_short | 5-Hydroxy-2-methyl-4H-pyran-4-one |
| title_sort | 5-hydroxy-2-methyl-4h-pyran-4-one |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968215/ https://www.ncbi.nlm.nih.gov/pubmed/21582022 http://dx.doi.org/10.1107/S1600536809003158 |
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