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Information card for entry 2012774
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| Coordinates | 2012774.cif |
|---|---|
| Structure factors | 2012774.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Methyl-1H-imidazo[5,4-f]quinolin-6-ium chloride monohydrate |
|---|---|
| Formula | C11 H12 Cl N3 O |
| Calculated formula | C11 H12 Cl N3 O |
| SMILES | n1(C)cnc2ccc3[nH+]cccc3c12.[Cl-].O |
| Title of publication | 1-Methyl-1<i>H</i>-imidazo[4,5-<i>f</i>]quinolin-6-ium chloride monohydrate |
| Authors of publication | Kettmann, Viktor; Lokaj, Jan; Milata, Viktor; Saloň, Jozef; Hasan, Mohamed Mahmoud Mohamed |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 6 |
| Pages of publication | o365 - o366 |
| a | 7.544 ± 0.005 Å |
| b | 9.084 ± 0.006 Å |
| c | 9.152 ± 0.008 Å |
| α | 72.65 ± 0.06° |
| β | 66.61 ± 0.05° |
| γ | 76.96 ± 0.07° |
| Cell volume | 545.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.137 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.162 |
| Weighted residual factors for all reflections included in the refinement | 0.201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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