<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate. - Publication - Bridge of Knowledge

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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.

Abstract

The structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, 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 1H and 13C NMR spectroscopic data are also presented

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DOI:
Digital Object Identifier (open in new tab) 10.1107/S1600536813014797
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Category:
Articles
Type:
artykuły w czasopismach recenzowanych i innych wydawnictwach ciągłych
Published in:
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE no. 69, pages 1019 - 1020,
ISSN: 1600-5368
Language:
English
Publication year:
2013
Bibliographic description:
Dmochowska B., Chojnacki J., Wojnowski W.: <i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.// ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. -Vol. 69., nr. 7 (2013), s.1019-1020
DOI:
Digital Object Identifier (open in new tab) 10.1107/s1600536813014797
Verified by:
Gdańsk University of Technology

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