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threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate
The asymmetric unit of the title compound, C(17)H(25)NO(7)S, contains two independent molecules, which are enantiomers forming a hydrogen-bonded dimer associated with two R (2) (2)(7) patterns. In each molecule, one ethyl group from the two available ethyl ester functional groups is disordered. I...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3257162/ https://www.ncbi.nlm.nih.gov/pubmed/22247718 http://dx.doi.org/10.1107/S1600536811029527 |
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author | Mekki, Sofiane Rolland, Valérie van Lee, Arie Rolland, Marc |
author_facet | Mekki, Sofiane Rolland, Valérie van Lee, Arie Rolland, Marc |
author_sort | Mekki, Sofiane |
collection | PubMed |
description | The asymmetric unit of the title compound, C(17)H(25)NO(7)S, contains two independent molecules, which are enantiomers forming a hydrogen-bonded dimer associated with two R (2) (2)(7) patterns. In each molecule, one ethyl group from the two available ethyl ester functional groups is disordered. In one molecule, the ethyl group of the ester function from an α-carboxylic acid is positionally disordered over two sets of sites with occupancies of 0.66:0.34. In the second molecule, it is the ethyl group in the γ-ester function that is disordered over two sets of sites with occupancies of 0.58:0.42. |
format | Online Article Text |
id | pubmed-3257162 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32571622012-01-13 threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate Mekki, Sofiane Rolland, Valérie van Lee, Arie Rolland, Marc Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(17)H(25)NO(7)S, contains two independent molecules, which are enantiomers forming a hydrogen-bonded dimer associated with two R (2) (2)(7) patterns. In each molecule, one ethyl group from the two available ethyl ester functional groups is disordered. In one molecule, the ethyl group of the ester function from an α-carboxylic acid is positionally disordered over two sets of sites with occupancies of 0.66:0.34. In the second molecule, it is the ethyl group in the γ-ester function that is disordered over two sets of sites with occupancies of 0.58:0.42. International Union of Crystallography 2011-07-30 /pmc/articles/PMC3257162/ /pubmed/22247718 http://dx.doi.org/10.1107/S1600536811029527 Text en © Mekki et al. 2011 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 Mekki, Sofiane Rolland, Valérie van Lee, Arie Rolland, Marc threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title |
threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title_full |
threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title_fullStr |
threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title_full_unstemmed |
threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title_short |
threo-Diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
title_sort | threo-diethyl 2-ethyl-2-hydroxy-3-(4-methylbenzenesulfonamido)succinate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3257162/ https://www.ncbi.nlm.nih.gov/pubmed/22247718 http://dx.doi.org/10.1107/S1600536811029527 |
work_keys_str_mv | AT mekkisofiane threodiethyl2ethyl2hydroxy34methylbenzenesulfonamidosuccinate AT rollandvalerie threodiethyl2ethyl2hydroxy34methylbenzenesulfonamidosuccinate AT vanleearie threodiethyl2ethyl2hydroxy34methylbenzenesulfonamidosuccinate AT rollandmarc threodiethyl2ethyl2hydroxy34methylbenzenesulfonamidosuccinate |