(3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate

The molecule of the zwitterionic title compound, C(6)H(9)NO(4)S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929 (2) and 0.647 (2) Å, respectively. The ionized carboxyl group is...

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Detalles Bibliográficos
Autores principales: Portalone, Gustavo, Cassetta, Alberto, Colapietro, Marcello, Plattner, Susanne Heidi
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960813/
https://www.ncbi.nlm.nih.gov/pubmed/21201967
http://dx.doi.org/10.1107/S1600536808005151
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author Portalone, Gustavo
Cassetta, Alberto
Colapietro, Marcello
Plattner, Susanne Heidi
author_facet Portalone, Gustavo
Cassetta, Alberto
Colapietro, Marcello
Plattner, Susanne Heidi
author_sort Portalone, Gustavo
collection PubMed
description The molecule of the zwitterionic title compound, C(6)H(9)NO(4)S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929 (2) and 0.647 (2) Å, respectively. The ionized carboxyl group is equatorially oriented. The hydrogen-bonding network includes very short O—H⋯O [2.470 (2) Å] and N—H⋯S [3.471 (2) and 3.416 (2) Å] inter­molecular contacts.
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spelling pubmed-29608132010-12-30 (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate Portalone, Gustavo Cassetta, Alberto Colapietro, Marcello Plattner, Susanne Heidi Acta Crystallogr Sect E Struct Rep Online Organic Papers The molecule of the zwitterionic title compound, C(6)H(9)NO(4)S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929 (2) and 0.647 (2) Å, respectively. The ionized carboxyl group is equatorially oriented. The hydrogen-bonding network includes very short O—H⋯O [2.470 (2) Å] and N—H⋯S [3.471 (2) and 3.416 (2) Å] inter­molecular contacts. International Union of Crystallography 2008-02-27 /pmc/articles/PMC2960813/ /pubmed/21201967 http://dx.doi.org/10.1107/S1600536808005151 Text en © Portalone et al. 2008 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
Portalone, Gustavo
Cassetta, Alberto
Colapietro, Marcello
Plattner, Susanne Heidi
(3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title_full (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title_fullStr (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title_full_unstemmed (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title_short (3R,5S)-5(3)-Carb­oxy-3,4,5,6-tetra­hydro-2H-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
title_sort (3r,5s)-5(3)-carb­oxy-3,4,5,6-tetra­hydro-2h-1,4-thia­zin-4-ium-3(5)-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960813/
https://www.ncbi.nlm.nih.gov/pubmed/21201967
http://dx.doi.org/10.1107/S1600536808005151
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