Information card for entry 2200862

Structure parameters

• Common name: 3,4-lutidine
• Chemical name: 3,4-dimethylpyridine
• Formula: C7 H9 N
• Calculated formula: C7 H9 N
• SMILES: n1cc(c(cc1)C)C
• Title of publication: 3,4-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: 3
• Pages of publication: o328 - o330
• a: 20.9006 ± 0.0008 Å
• b: 20.6112 ± 0.0009 Å
• c: 12.9921 ± 0.0003 Å
• α: 90°
• β: 115.135 ± 0.002°
• γ: 90°
• Cell volume: 5066.9 ± 0.3 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes