Information card for entry 2226946

Structure parameters

• Chemical name: 4-Ethoxyanilinium chloride
• Formula: C8 H12 Cl N O
• Calculated formula: C8 H12 Cl N O
• SMILES: [Cl-].c1([NH3+])ccc(OCC)cc1
• Title of publication: 4-Ethoxyanilinium chloride
• Authors of publication: Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1944
• a: 11.422 ± 0.002 Å
• b: 7.089 ± 0.0014 Å
• c: 22.887 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1853.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes