Information card for entry 2209469

Structure parameters

• Chemical name: N-(2-Bromophenyl)-2-phenylpropanamide
• Formula: C15 H14 Br N O
• Calculated formula: C15 H14 Br N O
• SMILES: Brc1ccccc1NC(=O)C(c1ccccc1)C
• Title of publication: <i>N</i>-(2-Bromophenyl)-2-phenylpropanamide
• Authors of publication: Jian-Ying Huang; Wei Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2651 - o2652
• a: 11.587 ± 0.002 Å
• b: 13.756 ± 0.003 Å
• c: 8.433 ± 0.002 Å
• α: 90°
• β: 95.97 ± 0.03°
• γ: 90°
• Cell volume: 1336.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes