Information card for entry 2200844

Structure parameters

• Common name: 3,5-lutidine
• Chemical name: 3,5-dimethylpyridine
• Formula: C7 H9 N
• Calculated formula: C7 H9 N
• SMILES: Cc1cncc(c1)C
• Title of publication: 3,5-Lutidine
• Authors of publication: Bond, Andrew D.; Davies, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o5 - o7
• a: 9.7236 ± 0.0009 Å
• b: 6.2851 ± 0.0008 Å
• c: 10.517 ± 0.002 Å
• α: 90°
• β: 95.691 ± 0.005°
• γ: 90°
• Cell volume: 639.57 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes