Information card for entry 2203552

Structure parameters

• Chemical name: N-(3-Bromophenyl)phthalimide
• Formula: C14 H8 Br N O2
• Calculated formula: C14 H8 Br N O2
• SMILES: Brc1cc(N2C(=O)c3ccccc3C2=O)ccc1
• Title of publication: <i>N</i>-(3-Bromophenyl)phthalimide
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o848 - o849
• a: 12.025 ± 0.001 Å
• b: 7.877 ± 0.001 Å
• c: 12.877 ± 0.001 Å
• α: 90°
• β: 106.03 ± 0.01°
• γ: 90°
• Cell volume: 1172.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes