Information card for entry 2226176

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2-(2-bromophenyl)-2-(2-nitrophenoxy)acetamide
• Formula: C21 H17 Br N2 O4
• Calculated formula: C21 H17 Br N2 O4
• SMILES: Brc1c(C(Oc2ccccc2N(=O)=O)C(=O)NCc2ccccc2)cccc1
• Title of publication: <i>N</i>-Benzyl-2-(2-bromophenyl)-2-(2-nitrophenoxy)acetamide
• Authors of publication: Li, Huo Ming; Wu, Jin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1274
• a: 7.5818 ± 0.0005 Å
• b: 10.465 ± 0.0007 Å
• c: 13.1095 ± 0.001 Å
• α: 73.939 ± 0.006°
• β: 82.878 ± 0.006°
• γ: 74.447 ± 0.006°
• Cell volume: 961.56 ± 0.12 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: 0.0544
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes