Information card for entry 2237925

Structure parameters

• Chemical name: (4<i>S</i>)-4-[(<i>R</i>)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
• Formula: C10 H9 Cl N2 O4
• Calculated formula: C10 H9 Cl N2 O4
• SMILES: O1C(=O)N[C@@H](C1)[C@@H](c1ccc(cc1)N(=O)=O)Cl
• Title of publication: (4<i>S</i>)-4-[(<i>R</i>)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
• Authors of publication: Gaumet, V.; Denis, C.; Madesclaire, M.; Zaitsev, V. P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o783
• a: 7.2372 ± 0.0001 Å
• b: 6.6726 ± 0.0001 Å
• c: 11.7126 ± 0.0002 Å
• α: 90°
• β: 106.715 ± 0.001°
• γ: 90°
• Cell volume: 541.714 ± 0.015 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes