Information card for entry 2235973

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide
• Formula: C14 H10 Br Cl F N O
• Calculated formula: C14 H10 Br Cl F N O
• SMILES: Brc1ccc(cc1)CC(=O)Nc1ccc(F)c(Cl)c1
• Title of publication: 2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2558
• a: 4.912 ± 0.0005 Å
• b: 6.3131 ± 0.0006 Å
• c: 42.517 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1318.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes