Information card for entry 2215882

Structure parameters

• Chemical name: 2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
• Formula: C7 H5 Cl F3 N O
• Calculated formula: C7 H5 Cl F3 N O
• SMILES: C(COc1c(Cl)nccc1)(F)(F)F
• Title of publication: 2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
• Authors of publication: Wang, Pin-Liang; Zeng, Hai-Su; Kang, Si-Shun; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4355 - o4355
• a: 12.907 ± 0.003 Å
• b: 7.469 ± 0.002 Å
• c: 18.52 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1669
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes