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2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate
The title compound, C(14)H(20)O(5)S·0.5H(2)O, crystallizes with two organic molecules and a solvent water molecule in the asymmetric unit. In both molecules, the hexapyranosyl rings adopt a slightly distorted chair conformation ((5) C (2)) with four substituents in equatorial positions and one s...
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/PMC3200876/ https://www.ncbi.nlm.nih.gov/pubmed/22058941 http://dx.doi.org/10.1107/S1600536811031667 |
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author | Brito, Iván Szilágyi, László Kumar, Ambati Ashok Albanez, Joselyn Bolte, Michael |
author_facet | Brito, Iván Szilágyi, László Kumar, Ambati Ashok Albanez, Joselyn Bolte, Michael |
author_sort | Brito, Iván |
collection | PubMed |
description | The title compound, C(14)H(20)O(5)S·0.5H(2)O, crystallizes with two organic molecules and a solvent water molecule in the asymmetric unit. In both molecules, the hexapyranosyl rings adopt a slightly distorted chair conformation ((5) C (2)) with four substituents in equatorial positions and one substituent in an axial position. The main difference between the organic molecules is the dihedral angle between the phenyl ring and the best plane defined by the O—C(1)—C(2)—C(3) atoms (r.m.s deviations = 0.003 and 0.043 Å) of the hexapyranosyl rings [47.4 (4) and 86.5 (4)°]. In the asymmetric unit, molecules are linked by two strong O—H⋯O hydrogen bonds. In the crystal, the components are linked by a total of 10 distinct O—H⋯O hydrogen bonds, resulting in the formation of a two-dimensional network parallel to the ab plane. |
format | Online Article Text |
id | pubmed-3200876 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32008762011-11-06 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate Brito, Iván Szilágyi, László Kumar, Ambati Ashok Albanez, Joselyn Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(20)O(5)S·0.5H(2)O, crystallizes with two organic molecules and a solvent water molecule in the asymmetric unit. In both molecules, the hexapyranosyl rings adopt a slightly distorted chair conformation ((5) C (2)) with four substituents in equatorial positions and one substituent in an axial position. The main difference between the organic molecules is the dihedral angle between the phenyl ring and the best plane defined by the O—C(1)—C(2)—C(3) atoms (r.m.s deviations = 0.003 and 0.043 Å) of the hexapyranosyl rings [47.4 (4) and 86.5 (4)°]. In the asymmetric unit, molecules are linked by two strong O—H⋯O hydrogen bonds. In the crystal, the components are linked by a total of 10 distinct O—H⋯O hydrogen bonds, resulting in the formation of a two-dimensional network parallel to the ab plane. International Union of Crystallography 2011-08-11 /pmc/articles/PMC3200876/ /pubmed/22058941 http://dx.doi.org/10.1107/S1600536811031667 Text en © Brito 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 Brito, Iván Szilágyi, László Kumar, Ambati Ashok Albanez, Joselyn Bolte, Michael 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title | 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title_full | 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title_fullStr | 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title_full_unstemmed | 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title_short | 2-Phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
title_sort | 2-phenylethyl 1-thio-β-d-galactopyranoside hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200876/ https://www.ncbi.nlm.nih.gov/pubmed/22058941 http://dx.doi.org/10.1107/S1600536811031667 |
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