Information card for entry 2010027

Structure parameters

• Chemical name: 3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one
• Formula: C15 H21 N O5
• Calculated formula: C15 H21 N O5
• SMILES: O=C1O[C@@H](COC)CN1c1ccc(OCC[C@H](O)C)cc1
• Title of publication: Structure analysis of a reversible monoamine oxidase A inhibitor: 3-{4-[(<i>R</i>)-3-hydroxybutoxy]phenyl}-(<i>R</i>)-5-methoxymethyl-1,3-oxazolidin-2-one
• Authors of publication: Wouters, Johan; Evrard, Guy; Durant, Francois
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1490 - 1492
• a: 9.387 ± 0.002 Å
• b: 31.005 ± 0.008 Å
• c: 5.1952 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0664
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No