Information card for entry 2228372

Structure parameters

• Chemical name: 4-Ethoxyanilinium bromide
• Formula: C8 H12 Br N O
• Calculated formula: C8 H12 Br N O
• SMILES: [Br-].O(c1ccc([NH3+])cc1)CC
• Title of publication: 4-Ethoxyanilinium bromide
• Authors of publication: Wang, Wen-zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3348
• a: 11.842 ± 0.002 Å
• b: 6.5263 ± 0.0013 Å
• c: 12.488 ± 0.003 Å
• α: 90°
• β: 96.44 ± 0.03°
• γ: 90°
• Cell volume: 959 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes