Information card for entry 1520186

Structure parameters

• Chemical name: N-(4-bromophenyl)propanamide
• Formula: C9 H10 Br N O
• Calculated formula: C9 H10 Br N O
• SMILES: c1(ccc(cc1)Br)NC(=O)CC
• Title of publication: N-(4-bromophenyl)propanamide
• Authors of publication: Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 537
• a: 9.3819 ± 0.0002 Å
• b: 9.2804 ± 0.0002 Å
• c: 20.7436 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1806.1 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No