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tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline

Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (−). The cations are virtually superimposable and each exhibits a gauche disposition of the hy­droxy O and ammonium N atoms [the O—C—C—N torsion angles are 55.5 (3) and 57....

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Autores principales: Arman, Hadi D., Kaulgud, Trupta, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435687/
https://www.ncbi.nlm.nih.gov/pubmed/22969558
http://dx.doi.org/10.1107/S1600536812034459
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author Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
author_facet Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
author_sort Arman, Hadi D.
collection PubMed
description Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (−). The cations are virtually superimposable and each exhibits a gauche disposition of the hy­droxy O and ammonium N atoms [the O—C—C—N torsion angles are 55.5 (3) and 57.5 (3)°]. Significant differences are seen in the mol­ecular structures of the anions as seen in the S—N—C—S [1.1 (3) and 32.9 (3)°] and C—S—N—C [−69.7 (2) and 91.4 (2)°] torsion angles. Despite the variations in conformation, intra­molecular hypervalent S⋯O inter­actions persist in each anion [3.078 (2) and 2.8730 (19) Å]. In the crystal, supra­molecular double layers are formed in the bc plane, being sustained by O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonding. These are connected along the a axis via C—H⋯O inter­actions.
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spelling pubmed-34356872012-09-11 tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (−). The cations are virtually superimposable and each exhibits a gauche disposition of the hy­droxy O and ammonium N atoms [the O—C—C—N torsion angles are 55.5 (3) and 57.5 (3)°]. Significant differences are seen in the mol­ecular structures of the anions as seen in the S—N—C—S [1.1 (3) and 32.9 (3)°] and C—S—N—C [−69.7 (2) and 91.4 (2)°] torsion angles. Despite the variations in conformation, intra­molecular hypervalent S⋯O inter­actions persist in each anion [3.078 (2) and 2.8730 (19) Å]. In the crystal, supra­molecular double layers are formed in the bc plane, being sustained by O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonding. These are connected along the a axis via C—H⋯O inter­actions. International Union of Crystallography 2012-08-08 /pmc/articles/PMC3435687/ /pubmed/22969558 http://dx.doi.org/10.1107/S1600536812034459 Text en © Arman et al. 2012 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
Arman, Hadi D.
Kaulgud, Trupta
Tiekink, Edward R. T.
tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title_full tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title_fullStr tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title_full_unstemmed tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title_short tert-But­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
title_sort tert-but­yl(2-hy­droxy­eth­yl)aza­nium 4-[(1,3-thia­zol-2-yl­aza­nid­yl)sulfon­yl]aniline
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435687/
https://www.ncbi.nlm.nih.gov/pubmed/22969558
http://dx.doi.org/10.1107/S1600536812034459
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AT kaulgudtrupta tertbutyl2hydroxyethylazanium413thiazol2ylazanidylsulfonylaniline
AT tiekinkedwardrt tertbutyl2hydroxyethylazanium413thiazol2ylazanidylsulfonylaniline