Information card for entry 2212361

Structure parameters

• Chemical name: 2-Chloro-4-methylpyridin-3-amine
• Formula: C6 H7 Cl N2
• Calculated formula: C6 H7 Cl N2
• SMILES: n1c(Cl)c(N)c(cc1)C
• Title of publication: 2-Chloro-4-methylpyridin-3-amine
• Authors of publication: Yathirajan, H.S.; Bindya, S.; Vijesh, A. M.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o761 - o762
• a: 3.9877 ± 0.0008 Å
• b: 12.8468 ± 0.0015 Å
• c: 12.8408 ± 0.0019 Å
• α: 90°
• β: 90.872 ± 0.014°
• γ: 90°
• Cell volume: 657.75 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes