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7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
In the title structure, C(25)H(24)FN(3)O(5), a strong intramolecular O—H⋯O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H⋯O, C—H⋯F and π–π [centroid–centroid distance 3.6080 (8)...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394047/ https://www.ncbi.nlm.nih.gov/pubmed/22798912 http://dx.doi.org/10.1107/S1600536812028711 |
| _version_ | 1782237811155402752 |
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| author | Wang, Shuo Shan, Guangzhi Guo, Huiyuan Liu, Mingliang |
| author_facet | Wang, Shuo Shan, Guangzhi Guo, Huiyuan Liu, Mingliang |
| author_sort | Wang, Shuo |
| collection | PubMed |
| description | In the title structure, C(25)H(24)FN(3)O(5), a strong intramolecular O—H⋯O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H⋯O, C—H⋯F and π–π [centroid–centroid distance 3.6080 (8) Å] interactions. The 1,4-dihydroquinoline ring and cyclopropyl group are not in the same plane, making an interplanar angle of 57.52 (8)°. |
| format | Online Article Text |
| id | pubmed-3394047 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-33940472012-07-13 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid Wang, Shuo Shan, Guangzhi Guo, Huiyuan Liu, Mingliang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title structure, C(25)H(24)FN(3)O(5), a strong intramolecular O—H⋯O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H⋯O, C—H⋯F and π–π [centroid–centroid distance 3.6080 (8) Å] interactions. The 1,4-dihydroquinoline ring and cyclopropyl group are not in the same plane, making an interplanar angle of 57.52 (8)°. International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394047/ /pubmed/22798912 http://dx.doi.org/10.1107/S1600536812028711 Text en © Wang et al. 2012 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 Wang, Shuo Shan, Guangzhi Guo, Huiyuan Liu, Mingliang 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title | 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title_full | 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title_fullStr | 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title_full_unstemmed | 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title_short | 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| title_sort | 7-{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394047/ https://www.ncbi.nlm.nih.gov/pubmed/22798912 http://dx.doi.org/10.1107/S1600536812028711 |
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