Crystal structure of methyl (S)-2-{(R)-4-[(tert-but-oxy-carbon-yl)amino]-3-oxo-1,2-thia-zolidin-2-yl}-3-methyl-butano-ate: a chemical model for oxidized protein tyrosine phosphatase 1B (PTP1B)
| Autor: | Kent S. Gates, Charles L. Barnes, Kasi Viswanatharaju Ruddraraju, Roman Hillebrand |
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| Rok vydání: | 2015 |
| Předmět: |
crystal structure
sulfenyl amide Chemistry Hydrogen bond isothiazolidine-3-one derivative isothiazolidine-3-one derivative chemistry.chemical_element General Chemistry Crystal structure Condensed Matter Physics Ring (chemistry) hydrogen bonding Protein Tyrosine Phosphatase 1B Research Communications Crystal lcsh:Chemistry Crystallography lcsh:QD1-999 Atom General Materials Science Flack parameter oxidized PTP1B Carbon |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 7, Pp 741-743 (2015) |
| ISSN: | 2056-9890 |
| Popis: | The title compound crystallized with two independent molecules (A and B) in the asymmetric unit. In the crystal, separate chains of A and B molecules, propagating along the b-axis direction, are formed via N—H⋯O, C—H⋯S and C—H⋯O hydrogen bonds The asymmetric unit of the title compound, C14H24N2O5S, contains two independent molecules (A and B). In each molecule, the isothiazolidin-3-one ring adopts an envelope conformation with the methylene C atom as the flap. In the crystal, the A molecules are linked to one another by N—H⋯O hydrogen bonds, forming columns along [010]. The B molecules are also linked to one another by N—H⋯O hydrogen bonds, forming columns along the same direction, i.e. [010]. Within the individual columns, there are also C—H⋯S and C—H⋯O hydrogen bonds present. The columns of A and B molecules are linked by C—H⋯O hydrogen bonds, forming sheets parallel to (10-1). The absolute structure was determined by resonant scattering [Flack parameter = 0.00 (3)]. |
| Databáze: | OpenAIRE |
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