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N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate

The structure of the title compound, [C(12)H(24)NO(4)][C(7)H(7)O(3)S]·1.5H(2)O, contains alternating layers parallel to (001) of hydro­phobic and polar character, stabilized by C—H⋯O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane...

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Autores principales: Dmochowska, Barbara, Sikora, Karol, Chojnacki, Jaroslaw, Wojnowski, Wieslaw, Wiśniewski, Andrzej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772458/
https://www.ncbi.nlm.nih.gov/pubmed/24046601
http://dx.doi.org/10.1107/S1600536813014797
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author Dmochowska, Barbara
Sikora, Karol
Chojnacki, Jaroslaw
Wojnowski, Wieslaw
Wiśniewski, Andrzej
author_facet Dmochowska, Barbara
Sikora, Karol
Chojnacki, Jaroslaw
Wojnowski, Wieslaw
Wiśniewski, Andrzej
author_sort Dmochowska, Barbara
collection PubMed
description The structure of the title compound, [C(12)H(24)NO(4)][C(7)H(7)O(3)S]·1.5H(2)O, contains alternating layers parallel to (001) of hydro­phobic and polar character, stabilized by C—H⋯O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O—C(methine) bonds. A comparison to related compounds is presented. The tosyl­ate-O atoms were disordered over two positions with the major component having a site occupancy factor = 0.566 (12). The structure was refined as a rotary twin with regard to rotation about the c axis with the contribution of the second component being 0.0048 (6). Solvate water mol­ecules are highly disordered and were removed using the SQUEEZE procedure; the unit cell characteristics take into account the presence of the disordered solvent. High-resolution (1)H and (13)C NMR spectroscopic data are also presented.
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spelling pubmed-37724582013-09-17 N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate Dmochowska, Barbara Sikora, Karol Chojnacki, Jaroslaw Wojnowski, Wieslaw Wiśniewski, Andrzej Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, [C(12)H(24)NO(4)][C(7)H(7)O(3)S]·1.5H(2)O, contains alternating layers parallel to (001) of hydro­phobic and polar character, stabilized by C—H⋯O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O—C(methine) bonds. A comparison to related compounds is presented. The tosyl­ate-O atoms were disordered over two positions with the major component having a site occupancy factor = 0.566 (12). The structure was refined as a rotary twin with regard to rotation about the c axis with the contribution of the second component being 0.0048 (6). Solvate water mol­ecules are highly disordered and were removed using the SQUEEZE procedure; the unit cell characteristics take into account the presence of the disordered solvent. High-resolution (1)H and (13)C NMR spectroscopic data are also presented. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772458/ /pubmed/24046601 http://dx.doi.org/10.1107/S1600536813014797 Text en © Dmochowska et al. 2013 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
Dmochowska, Barbara
Sikora, Karol
Chojnacki, Jaroslaw
Wojnowski, Wieslaw
Wiśniewski, Andrzej
N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title_full N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title_fullStr N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title_full_unstemmed N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title_short N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
title_sort n,n,n-trimethyl-n-(methyl 5-de­oxy-2,3-o-iso­propyl­idene-β-d-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772458/
https://www.ncbi.nlm.nih.gov/pubmed/24046601
http://dx.doi.org/10.1107/S1600536813014797
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