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

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Kansiz S., Faizi M. S. H., Aydin T. M., DEGE N., İçbudak H., Golenya I. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.76, ss.572-579, 2020 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 76
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1107/s2056989020003813
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.572-579
  • Anahtar Kelimeler: crystal structure, acesulfame, 2-amino-3-hydroxypyridine, hydrogen bonding, Hirshfeld surface analysis
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

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.