Information card for entry 2217512

Structure parameters

• Chemical name: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine
• Formula: C6 H4 Cl F3 N2
• Calculated formula: C6 H4 Cl F3 N2
• SMILES: Nc1ncc(cc1Cl)C(F)(F)F
• Title of publication: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine
• Authors of publication: Tan, Sheng; Feng, Guang-Bin; Chen, Xue-Jun; Shang, Zhen-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o430 - o430
• a: 5.801 ± 0.001 Å
• b: 17.978 ± 0.005 Å
• c: 7.578 ± 0.002 Å
• α: 90°
• β: 100.19 ± 0.04°
• γ: 90°
• Cell volume: 777.8 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes