Information card for entry 2007676

Structure parameters

• Formula: C16 H15 Br N2 O3
• Calculated formula: C16 H15 Br N2 O3
• SMILES: Brc1cc(N(=O)=O)c(CC(=O)c2ccc(N(C)C)cc2)cc1
• Title of publication: 2-(4-Bromo-2-nitrophenyl)-1-(4-dimethylaminophenyl)-1-ethanone
• Authors of publication: White, Jonathan M.; Clark, Christopher I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1304 - 1306
• a: 7.9808 ± 0.0007 Å
• b: 11.72 ± 0.001 Å
• c: 16.468 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No