Information card for entry 2244050

Structure parameters

• Common name: hydroxymethylimidazole
• Chemical name: 1<i>H</i>-Imidazole-1-methanol
• Formula: C4 H6 N2 O
• Calculated formula: C4 H6 N2 O
• SMILES: OCn1cncc1
• Title of publication: Crystal structure of 1<i>H</i>-imidazole-1-methanol
• Authors of publication: Wysocki, Megan M.; Puzovic, Gorana; Dowell, Keith L.; Reinheimer, Eric W.; Gerlach, Deidra L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 10.6201 ± 0.0008 Å
• b: 8.0201 ± 0.0008 Å
• c: 18.2085 ± 0.0016 Å
• α: 90°
• β: 91.262 ± 0.007°
• γ: 90°
• Cell volume: 1550.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes