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3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate
In the title hydrated molecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(−)·H(2)O, the cation is protonated at a quinazolinone N atom and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, intermolecular N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O, C—H⋯π and weak aromatic π–π stack...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977733/ https://www.ncbi.nlm.nih.gov/pubmed/21583869 http://dx.doi.org/10.1107/S1600536809013841 |
| _version_ | 1782191175335149568 |
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| author | Arfan, Mohammad Tahir, M. Nawaz Khan, Rasool Iqbal, Mohammad S. |
| author_facet | Arfan, Mohammad Tahir, M. Nawaz Khan, Rasool Iqbal, Mohammad S. |
| author_sort | Arfan, Mohammad |
| collection | PubMed |
| description | In the title hydrated molecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(−)·H(2)O, the cation is protonated at a quinazolinone N atom and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, intermolecular N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O, C—H⋯π and weak aromatic π–π stacking interactions [centroid–centroid separations = 3.8648 (12) and 3.9306 (13) Å] help to establish the packing; a short S=O⋯π contact is also seen. |
| format | Text |
| id | pubmed-2977733 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29777332010-12-30 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate Arfan, Mohammad Tahir, M. Nawaz Khan, Rasool Iqbal, Mohammad S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated molecular salt, C(9)H(10)N(3)O(+)·C(7)H(7)O(3)S(−)·H(2)O, the cation is protonated at a quinazolinone N atom and an intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, intermolecular N—H⋯O and O—H⋯O hydrogen bonds and C—H⋯O, C—H⋯π and weak aromatic π–π stacking interactions [centroid–centroid separations = 3.8648 (12) and 3.9306 (13) Å] help to establish the packing; a short S=O⋯π contact is also seen. International Union of Crystallography 2009-04-18 /pmc/articles/PMC2977733/ /pubmed/21583869 http://dx.doi.org/10.1107/S1600536809013841 Text en © Arfan 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 Arfan, Mohammad Tahir, M. Nawaz Khan, Rasool Iqbal, Mohammad S. 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title | 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title_full | 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title_fullStr | 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title_full_unstemmed | 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title_short | 3-Amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| title_sort | 3-amino-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium p-toluenesulfonate monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977733/ https://www.ncbi.nlm.nih.gov/pubmed/21583869 http://dx.doi.org/10.1107/S1600536809013841 |
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