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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3772458 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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