Information card for entry 2236849

Structure parameters

• Chemical name: 6-Methylpyridin-2-amine
• Formula: C6 H8 N2
• Calculated formula: C6 H8 N2
• SMILES: n1c(N)cccc1C
• Title of publication: 6-Methylpyridin-2-amine
• Authors of publication: Draguta, Sergiu; Khrustalev, Victor N.; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3466
• a: 9.1006 ± 0.0011 Å
• b: 6.2458 ± 0.0008 Å
• c: 10.5598 ± 0.0013 Å
• α: 90°
• β: 100.952 ± 0.002°
• γ: 90°
• Cell volume: 589.29 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes