Information card for entry 2241032

Structure parameters

• Chemical name: 2,2,2-Tribromo-<i>N</i>-(4-fluorophenyl)acetamide
• Formula: C8 H5 Br3 F N O
• Calculated formula: C8 H5 Br3 F N O
• SMILES: c1(ccc(cc1)F)NC(=O)C(Br)(Br)Br
• Title of publication: Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides
• Authors of publication: Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1048 - 1053
• a: 16.983 ± 0.0009 Å
• b: 6.1095 ± 0.0003 Å
• c: 10.1508 ± 0.0006 Å
• α: 90°
• β: 100.485 ± 0.001°
• γ: 90°
• Cell volume: 1035.64 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes