Information card for entry 8104916

Structure parameters

• Common name: 2,4-dimethylimidazole hydrate
• Chemical name: 2,4-dimethylimidazole hydrate
• Formula: C5 H10 N2 O
• Calculated formula: C5 H10 N2 O
• Title of publication: The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 181 - 183
• a: 4.7212 ± 0.0004 Å
• b: 11.1424 ± 0.0008 Å
• c: 12.8211 ± 0.0009 Å
• α: 90°
• β: 94.349 ± 0.003°
• γ: 90°
• Cell volume: 672.52 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No