Information card for entry 2202207

Structure parameters

• Common name: p-bromoanilino acetophenone
• Chemical name: 2-[(4-bromophenyl)amino]-1-phenylethanone
• Formula: C14 H12 Br N O
• Calculated formula: C14 H12 Br N O
• SMILES: Brc1ccc(NCC(=O)c2ccccc2)cc1
• Title of publication: 2-[(4-Bromophenyl)amino]-1-phenylethanone
• Authors of publication: Saraogi, Ishu; Mruthyunjayaswamy, B. H. M.; Ijare, Omkar B.; Jadegoud, Y; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o443 - o444
• a: 5.7609 ± 0.0009 Å
• b: 7.5689 ± 0.0011 Å
• c: 14.227 ± 0.002 Å
• α: 99.374 ± 0.002°
• β: 91.216 ± 0.002°
• γ: 96.778 ± 0.002°
• Cell volume: 607.27 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0729
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes