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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...

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Detalles Bibliográficos
Autores principales: Brito, Iván, Szilágyi, László, Kumar, Ambati Ashok, Albanez, Joselyn, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
Sumario: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.