Information card for entry 2233648

Structure parameters

• Chemical name: <i>N</i>-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide
• Formula: C14 H11 Br Cl N O
• Calculated formula: C14 H11 Br Cl N O
• SMILES: Brc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
• Title of publication: <i>N</i>-(4-Bromophenyl)-2-(4-chlorophenyl)acetamide
• Authors of publication: Fun, Hoong-Kun; Shahani, Tara; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o519
• a: 15.584 ± 0.008 Å
• b: 4.763 ± 0.003 Å
• c: 18.139 ± 0.01 Å
• α: 90°
• β: 96.984 ± 0.011°
• γ: 90°
• Cell volume: 1336.4 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1265
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1663
• 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