Information card for entry 2229528

Structure parameters

• Chemical name: 4-Nitrophenyl 2-bromo-2-methylpropanoate
• Formula: C10 H10 Br N O4
• Calculated formula: C10 H10 Br N O4
• SMILES: BrC(C)(C)C(=O)Oc1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitrophenyl 2-bromo-2-methylpropanoate
• Authors of publication: Rizzoli, Corrado; Marku, Elda; Greci, Lucedio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o698
• a: 11.4128 ± 0.0016 Å
• b: 14.45 ± 0.002 Å
• c: 14.539 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2397.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes