2-Phenyl­ethyl 1-thio-β-d-galactopyran­oside hemihydrate

The title compound, C14H20O5S·0.5H2O, 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 conformat
The title compound, C14H20O5S·0.5H2O, 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—C1—C2—C3 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[cdots, three dots, centered]O hydrogen bonds. In the crystal, the components are linked by a total of 10 distinct O—H[cdots, three dots, centered]O hydrogen bonds, resulting in the formation of a two-dimensional network parallel to the ab plane.
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Metadaten
Author:Iván Brito, László Szilágyi , Ambati Ashok Kumar, Joselyn Albanez, Michael Bolte
URN:urn:nbn:de:hebis:30:3-253027
DOI:http://dx.doi.org/10.1107/S1600536811031667
ISSN:1600-5368
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=22058941
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Publisher:Munksgaard
Place of publication:Copenhagen
Document Type:Article
Language:English
Date of Publication (online):2011/08/11
Date of first Publication:2011/08/11
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Release Date:2012/06/27
Volume:67
Issue:o2308–o2309
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Licence (German):License LogoCreative Commons - Namensnennung 3.0

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