Information card for entry 2231180

Structure parameters

• Chemical name: 2,4,6-Trimethylanilinium chloroacetate
• Formula: C11 H16 Cl N O2
• Calculated formula: C11 H16 Cl N O2
• SMILES: c1c(cc(c(c1C)[NH3+])C)C.C(=O)(CCl)[O-]
• Title of publication: 2,4,6-Trimethylanilinium chloroacetate
• Authors of publication: Tao, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1997
• a: 26.529 ± 0.005 Å
• b: 4.7453 ± 0.0009 Å
• c: 22.717 ± 0.005 Å
• α: 90°
• β: 124.24 ± 0.03°
• γ: 90°
• Cell volume: 2364.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes