Information card for entry 1519948

Structure parameters

• Chemical name: 2-Methylimidazole
• Formula: C4 H6 N2
• Calculated formula: C4 H6 N2
• SMILES: c1(C)[nH]ccn1
• Title of publication: 2-Methylimidazole - C4H6N2
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 549
• a: 6.0084 ± 0.0008 Å
• b: 8.1526 ± 0.0013 Å
• c: 9.6903 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 474.67 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No