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Information card for entry 2203653
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| Coordinates | 2203653.cif |
|---|---|
| Structure factors | 2203653.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H17 I N2 O |
|---|---|
| Calculated formula | C12 H17 I N2 O |
| SMILES | [I-].O(C)c1ccc(N2CC[N+](=C2C)C)cc1 |
| Title of publication | 3-(4-Methoxyphenyl)-1,2-dimethyl-4,5-dihydroimidazolium iodide |
| Authors of publication | Li, Dong-Hong; Tong, Hong-Bo; Huang, Shuping; Hao, Junsheng; Zhang, Yongbin; Xia, Chi-Zhong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o855 - o856 |
| a | 11.458 ± 0.0017 Å |
| b | 7.5134 ± 0.0012 Å |
| c | 16.307 ± 0.003 Å |
| α | 90° |
| β | 110.014 ± 0.002° |
| γ | 90° |
| Cell volume | 1319.1 ± 0.4 Å3 |
| 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.