Information card for entry 2238151

Structure parameters

• Chemical name: (1<i>H</i>-Imidazol-4-yl)methanol
• Formula: C4 H6 N2 O
• Calculated formula: C4 H6 N2 O
• SMILES: OCc1nc[nH]c1
• Title of publication: (1<i>H</i>-Imidazol-4-yl)methanol
• Authors of publication: Sanders, Marisa B.; Farrokh, John C.; Hardie, Joseph; Chan, Benny C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1151
• a: 13.918 ± 0.0009 Å
• b: 7.198 ± 0.0005 Å
• c: 11.6509 ± 0.0012 Å
• α: 90°
• β: 125.249 ± 0.001°
• γ: 90°
• Cell volume: 953.2 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes