Information card for entry 2238366

Structure parameters

• Chemical name: 2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide
• Formula: C6 H11 I3 N2 O
• Calculated formula: C6 H11 I3 N2 O
• SMILES: [I-](I)I.n1(c([n+](C)cc1)CO)C
• Title of publication: 2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide
• Authors of publication: Said, Mohamed El Hadi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1340 - o1341
• a: 7.1647 ± 0.0008 Å
• b: 15.5586 ± 0.0019 Å
• c: 11.3201 ± 0.0013 Å
• α: 90°
• β: 96.026 ± 0.007°
• γ: 90°
• Cell volume: 1254.9 ± 0.3 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: 0.0165
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes