Information card for entry 2208567

Structure parameters

• Chemical name: 3-(4-Bromobenzoyl)-N-phenyl-1,3-oxazolidin-2-imine
• Formula: C17 H15 Br N2 O2
• Calculated formula: C17 H15 Br N2 O2
• SMILES: Brc1ccc(cc1)C(=O)N1C(COC/1=N\c1ccccc1)C
• Title of publication: 3-(4-Bromobenzoyl)-<i>N</i>-phenyl-1,3-oxazolidin-2-imine
• Authors of publication: Kim, Taek Hyeon; Jang, Jung Hee; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1306 - o1307
• a: 5.867 ± 0.001 Å
• b: 10.638 ± 0.002 Å
• c: 13.982 ± 0.003 Å
• α: 69.44 ± 0.03°
• β: 78.09 ± 0.03°
• γ: 86.28 ± 0.03°
• Cell volume: 799.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No