Information card for entry 2203598

Structure parameters

• Common name: 1,2-dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide
• Chemical name: 1,2-Dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide
• Formula: C11 H14 I N3 O2
• Calculated formula: C11 H14 I N3 O2
• SMILES: [I-].O=N(=O)c1ccccc1N1CC[N+](=C1C)C
• Title of publication: 1,2-Dimethyl-3-(2-nitrophenyl)-4,5-dihydroimidazolium iodide
• Authors of publication: Li, Dong-Hong; Hao, Jun-Sheng; Huo, Fang-Jun; Huang, Shu-Ping; Zhang, Yong-Bin; Xia, Chi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o844 - o845
• a: 9.597 ± 0.002 Å
• b: 10.09 ± 0.002 Å
• c: 13.577 ± 0.003 Å
• α: 90°
• β: 94.187 ± 0.002°
• γ: 90°
• Cell volume: 1311.2 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes