Information card for entry 2234404

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-phenylbenzamide
• Formula: C13 H10 Br N O
• Calculated formula: C13 H10 Br N O
• SMILES: Brc1ccc(cc1)C(=O)Nc1ccccc1
• Title of publication: 4-Bromo-<i>N</i>-phenylbenzamide
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Sripet, Weerawat; Ruanwas, Pumsak; Boonnak, Nawong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1269 - o1270
• a: 5.3552 ± 0.0002 Å
• b: 7.6334 ± 0.0002 Å
• c: 13.9956 ± 0.0005 Å
• α: 105.757 ± 0.003°
• β: 100.585 ± 0.003°
• γ: 90.086 ± 0.002°
• Cell volume: 540.45 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes