Information card for entry 2226629

Structure parameters

• Chemical name: 2,4-Dimethylanilinium chloride
• Formula: C8 H12 Cl N
• Calculated formula: C8 H12 Cl N
• SMILES: [NH3+]c1c(cc(cc1)C)C.[Cl-]
• Title of publication: 2,4-Dimethylanilinium chloride
• Authors of publication: Yao, Ji-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1563
• a: 9.4739 ± 0.0019 Å
• b: 9.894 ± 0.002 Å
• c: 9.6709 ± 0.0019 Å
• α: 90°
• β: 96.31 ± 0.03°
• γ: 90°
• Cell volume: 901 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes