Information card for entry 2215275

Structure parameters

• Chemical name: N-(4-Bromophenyl)propionamide
• Formula: C9 H10 Br N O
• Calculated formula: C9 H10 Br N O
• SMILES: Brc1ccc(NC(=O)CC)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)propionamide
• Authors of publication: Guo, Chen-Hu; Guo, Ming-Lin; Zhang, Hou-Ying; Ye, Ya-Nan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3884 - o3884
• a: 9.3879 ± 0.0019 Å
• b: 9.2952 ± 0.0019 Å
• c: 20.721 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes