Information card for entry 2214103

Structure parameters

• Chemical name: 2,4,6-Trichloroaniline
• Formula: C6 H4 Cl3 N
• Calculated formula: C6 H4 Cl3 N
• SMILES: c1(c(cc(cc1Cl)Cl)Cl)N
• Title of publication: 2,4,6-Trichloroaniline
• Authors of publication: B. Thimme Gowda; Ingrid Svoboda; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3347 - o3347
• a: 13.1933 ± 0.0009 Å
• b: 3.7913 ± 0.0003 Å
• c: 15.774 ± 0.001 Å
• α: 90°
• β: 111.546 ± 0.008°
• γ: 90°
• Cell volume: 733.88 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes