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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....
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3435687 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT armanhadid tertbutyl2hydroxyethylazanium413thiazol2ylazanidylsulfonylaniline AT kaulgudtrupta tertbutyl2hydroxyethylazanium413thiazol2ylazanidylsulfonylaniline AT tiekinkedwardrt tertbutyl2hydroxyethylazanium413thiazol2ylazanidylsulfonylaniline |