Information card for entry 2023063

Structure parameters

• Chemical name: (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone
• Formula: C13 H13 Cl F N O4
• Calculated formula: C13 H13 Cl F N O4
• Title of publication: Crystal structure of (<i>S</i>)-5-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-oxazolidinone.
• Authors of publication: Li, Victor; Yap, Glenn P. A.; Ni, Chaoying
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 4
• Pages of publication: 375 - 377
• a: 7.8729 ± 0.0012 Å
• b: 5.5655 ± 0.0008 Å
• c: 15.492 ± 0.002 Å
• α: 90°
• β: 101.446 ± 0.003°
• γ: 90°
• Cell volume: 665.31 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No