Information card for entry 2237564

Structure parameters

• Chemical name: <i>N</i>-(4-Bromophenyl)acetamide
• Formula: C8 H8 Br N O
• Calculated formula: C8 H8 Br N O
• SMILES: Brc1ccc(NC(=O)C)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)acetamide: a new polymorph
• Authors of publication: Jasinski, Jerry P.; Guild, Curtis J.; Yathirajan, H. S.; Narayana, B.; Samshuddin, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o461
• a: 6.725 ± 0.0007 Å
• b: 9.3876 ± 0.0011 Å
• c: 14.4434 ± 0.0014 Å
• α: 90°
• β: 117.75 ± 0.004°
• γ: 90°
• Cell volume: 806.96 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes