Information card for entry 2206875

Structure parameters

• Chemical name: N-(2-Bromophenyl)propionamide
• Formula: C9 H10 Br N O
• Calculated formula: C9 H10 Br N O
• SMILES: c1(ccccc1NC(=O)CC)Br
• Title of publication: <i>N</i>-(2-Bromophenyl)propionamide
• Authors of publication: Ronaldson, Vicki; Storey, John. M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3200 - o3202
• a: 4.8701 ± 0.0001 Å
• b: 11.8048 ± 0.0004 Å
• c: 15.9296 ± 0.0005 Å
• α: 90°
• β: 93.964 ± 0.002°
• γ: 90°
• Cell volume: 913.61 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes