Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide
The asymmetric unit of the title compound, C5H7N2O+·C4H4NO4S−, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide anion adopts an envelope conformation with the S atom as the flap. In the crystal, the anions and cations are held together by N—H...O, N—H...N, O—...
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International Union of Crystallography
2020-04-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020003813 |
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doaj-e38b6b742fa54ba292a82581cfd8222e2020-11-25T03:23:45ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-04-0176457257510.1107/S2056989020003813yk2127Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ideSevgi Kansiz0Md. Serajul Haque Faizi1Tansu Merve Aydin2Necmi Dege3Hasan Icbudak4Irina A. Golenya5Department of Fundamental Sciences, Faculty of Engineering, Samsun University, Samsun, 55420, TurkeyPG Department of Chemistry, Langat Singh College, B. R. A. Bihar University, Muzaffarpur, Bihar-842001, IndiaDepartment of Chemistry, Faculty of Arts and Sciences, Ondokuz Mayıs, University, Samsun, 55200, TurkeyDepartment of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs, University, Samsun, 55200, TurkeyDepartment of Chemistry, Faculty of Arts and Sciences, Ondokuz Mayıs, University, Samsun, 55200, TurkeyDepartment of Chemistry, Volodymyrska str., 64, National Taras Shevchenko University, 01601 Kyiv, UkraineThe asymmetric unit of the title compound, C5H7N2O+·C4H4NO4S−, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide anion adopts an envelope conformation with the S atom as the flap. In the crystal, the anions and cations are held together by N—H...O, N—H...N, O—H...O and C—H...O hydrogen bonds, thus forming a three-dimensional structure. The Hirshfeld surface analysis and fingerprint plots reveal that the crystal packing is dominated by O...H/H...O (43.1%) and H...H (24.2%) contacts.http://scripts.iucr.org/cgi-bin/paper?S2056989020003813crystal structureacesulfame2-amino-3-hydroxypyridinehydrogen bondinghirshfeld surface analysis |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Sevgi Kansiz Md. Serajul Haque Faizi Tansu Merve Aydin Necmi Dege Hasan Icbudak Irina A. Golenya |
| spellingShingle |
Sevgi Kansiz Md. Serajul Haque Faizi Tansu Merve Aydin Necmi Dege Hasan Icbudak Irina A. Golenya Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide Acta Crystallographica Section E: Crystallographic Communications crystal structure acesulfame 2-amino-3-hydroxypyridine hydrogen bonding hirshfeld surface analysis |
| author_facet |
Sevgi Kansiz Md. Serajul Haque Faizi Tansu Merve Aydin Necmi Dege Hasan Icbudak Irina A. Golenya |
| author_sort |
Sevgi Kansiz |
| title |
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide |
| title_short |
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide |
| title_full |
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide |
| title_fullStr |
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide |
| title_full_unstemmed |
Crystal structure and Hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide |
| title_sort |
crystal structure and hirshfeld surface analysis of 2-amino-3-hydroxypyridin-1-ium 6-methyl-2,2,4-trioxo-2h,4h-1,2,3-oxathiazin-3-ide |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E: Crystallographic Communications |
| issn |
2056-9890 |
| publishDate |
2020-04-01 |
| description |
The asymmetric unit of the title compound, C5H7N2O+·C4H4NO4S−, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2H,4H-1,2,3-oxathiazin-3-ide anion adopts an envelope conformation with the S atom as the flap. In the crystal, the anions and cations are held together by N—H...O, N—H...N, O—H...O and C—H...O hydrogen bonds, thus forming a three-dimensional structure. The Hirshfeld surface analysis and fingerprint plots reveal that the crystal packing is dominated by O...H/H...O (43.1%) and H...H (24.2%) contacts. |
| topic |
crystal structure acesulfame 2-amino-3-hydroxypyridine hydrogen bonding hirshfeld surface analysis |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2056989020003813 |
| work_keys_str_mv |
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