Information card for entry 2214193

Structure parameters

• Chemical name: 2,4,6-Trimethylanilinium chloride
• Formula: C9 H14 Cl N
• Calculated formula: C9 H14 Cl N
• SMILES: c1(c(cc(cc1C)C)C)[NH3+].[Cl-]
• Title of publication: 2,4,6-Trimethylanilinium chloride
• Authors of publication: Long, Sihui; Siegler, Maxime; Li, Tonglei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3080 - o3080
• a: 4.811 ± 0.001 Å
• b: 15.373 ± 0.003 Å
• c: 12.509 ± 0.002 Å
• α: 90°
• β: 90.99 ± 0.03°
• γ: 90°
• Cell volume: 925 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0851
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes