Information card for entry 2217339

Structure parameters

• Chemical name: (E)-3-Bromo-N-(1,3-oxazolidin-2-ylidene)benzamide
• Formula: C10 H9 Br N2 O2
• Calculated formula: C10 H9 Br N2 O2
• SMILES: Brc1cc(ccc1)C(=O)/N=C/1NCCO1
• Title of publication: (<i>E</i>)-3-Bromo-<i>N</i>-(1,3-oxazolidin-2-ylidene)benzamide
• Authors of publication: Junke Wang; Junfeng Bai; Yi Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o106 - o106
• a: 8.3877 ± 0.0009 Å
• b: 12.5593 ± 0.0014 Å
• c: 10.1907 ± 0.0012 Å
• α: 90°
• β: 107.222 ± 0.002°
• γ: 90°
• Cell volume: 1025.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes