Information card for entry 2228547

Structure parameters

• Chemical name: 2,6-Dibromo-4-butylanilinium chloride
• Formula: C10 H14 Br2 Cl N
• Calculated formula: C10 H14 Br2 Cl N
• SMILES: Brc1c(c(Br)cc(c1)CCCC)[NH3+].[Cl-]
• Title of publication: 2,6-Dibromo-4-butylanilinium chloride
• Authors of publication: Zhao, Liang; Feng, Li-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3266
• a: 4.9785 ± 0.001 Å
• b: 8.7844 ± 0.0018 Å
• c: 14.898 ± 0.003 Å
• α: 86.29 ± 0.03°
• β: 87.58 ± 0.03°
• γ: 87.17 ± 0.03°
• Cell volume: 648.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes