Information card for entry 2208525

Structure parameters

• Chemical name: p-Nitroaniline hydrobromide
• Formula: C6 H7 Br N2 O2
• Calculated formula: C6 H7 Br N2 O2
• SMILES: c1(ccc(cc1)[NH3+])N(=O)=O.[Br-]
• Title of publication: <i>p</i>-Nitroaniline hydrobromide
• Authors of publication: Lemmerer, Andreas; Billing, David G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1562 - o1564
• a: 20.625 ± 0.005 Å
• b: 30.408 ± 0.005 Å
• c: 5.08 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3186 ± 3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes