Information card for entry 2231145

Structure parameters

• Chemical name: 2-Hydroxymethyl-1,3-dimethylimidazolium iodide
• Formula: C6 H11 I N2 O
• Calculated formula: C6 H11 I N2 O
• SMILES: [I-].Cn1cc[n+](C)c1CO
• Title of publication: 2-Hydroxymethyl-1,3-dimethylimidazolium iodide
• Authors of publication: Chelghoum, Meryem; Bahnous, Mebarek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1890
• a: 7.3428 ± 0.0003 Å
• b: 7.2186 ± 0.0003 Å
• c: 16.887 ± 0.0008 Å
• α: 90°
• β: 93.093 ± 0.002°
• γ: 90°
• Cell volume: 893.79 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes