Information card for entry 2200598

Structure parameters

• Common name: 3-picoline
• Chemical name: 3-methylpyridine
• Formula: C6 H7 N
• Calculated formula: C6 H7 N
• SMILES: n1cc(ccc1)C
• Title of publication: 3-Picoline
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1087 - o1088
• a: 9.3516 ± 0.0009 Å
• b: 9.7925 ± 0.001 Å
• c: 5.7651 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 527.94 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes