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 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.
| Author: | Iván Brito, László Szilágyi, Ambati Ashok Kumar, Joselyn Albanez, Michael BolteORCiD |
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| URN: | urn:nbn:de:hebis:30:3-253027 |
| DOI: | https://doi.org/10.1107/S1600536811031667 |
| ISSN: | 1600-5368 |
| Pubmed Id: | https://pubmed.ncbi.nlm.nih.gov/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: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2012/06/27 |
| Volume: | 67 |
| Issue: | o2308–o2309 |
| Page Number: | 15 |
| HeBIS-PPN: | 357588592 |
| Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - Namensnennung 3.0 |
