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, vol.76, pp.572-579, 2020 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 76
- Publication Date: 2020
- Doi Number: 10.1107/s2056989020003813
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.572-579
- Keywords: crystal structure, acesulfame, 2-amino-3-hydroxypyridine, hydrogen bonding, Hirshfeld surface analysis
- Open Archive Collection: AVESIS Open Access Collection
- Ondokuz Mayıs University Affiliated: Yes
Abstract
The asymmetric unit of the title compound, C5H7N2O+center dot 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 center dot center dot center dot O, N-H center dot center dot center dot N, O-H center dot center dot center dot O and C-H center dot center dot center dot 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 center dot center dot center dot H/H center dot center dot center dot O (43.1%) and H center dot center dot center dot center dot H (24.2%) contacts.