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, C(5)H(7)N(2)O(+)·C(4)H(4)NO(4)S(−), 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—...

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Autores principales: Kansiz, Sevgi, Faizi, Md. Serajul Haque, Aydin, Tansu Merve, Dege, Necmi, Icbudak, Hasan, Golenya, Irina A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133025/
https://www.ncbi.nlm.nih.gov/pubmed/32280506
http://dx.doi.org/10.1107/S2056989020003813
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author Kansiz, Sevgi
Faizi, Md. Serajul Haque
Aydin, Tansu Merve
Dege, Necmi
Icbudak, Hasan
Golenya, Irina A.
author_facet Kansiz, Sevgi
Faizi, Md. Serajul Haque
Aydin, Tansu Merve
Dege, Necmi
Icbudak, Hasan
Golenya, Irina A.
author_sort Kansiz, Sevgi
collection PubMed
description The asymmetric unit of the title compound, C(5)H(7)N(2)O(+)·C(4)H(4)NO(4)S(−), 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.
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spelling pubmed-71330252020-04-10 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 Kansiz, Sevgi Faizi, Md. Serajul Haque Aydin, Tansu Merve Dege, Necmi Icbudak, Hasan Golenya, Irina A. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(5)H(7)N(2)O(+)·C(4)H(4)NO(4)S(−), 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. International Union of Crystallography 2020-03-27 /pmc/articles/PMC7133025/ /pubmed/32280506 http://dx.doi.org/10.1107/S2056989020003813 Text en © Kansiz et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Kansiz, Sevgi
Faizi, Md. Serajul Haque
Aydin, Tansu Merve
Dege, Necmi
Icbudak, Hasan
Golenya, Irina A.
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 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_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_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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7133025/
https://www.ncbi.nlm.nih.gov/pubmed/32280506
http://dx.doi.org/10.1107/S2056989020003813
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