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Information card for entry 1558091
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| Coordinates | 1558091.cif |
|---|---|
| Structure factors | 1558091.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride |
|---|---|
| Formula | C5 H9 Cl N2 |
| Calculated formula | C5 H9 Cl N2 |
| SMILES | [Cl-].[nH]1cc[n+](c1C)C |
| Title of publication | 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride |
| Authors of publication | Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | x200660 |
| a | 6.3076 ± 0.0004 Å |
| b | 9.549 ± 0.0006 Å |
| c | 11.3951 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 686.34 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0213 |
| Residual factor for significantly intense reflections | 0.0194 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252209 (current) | 2020-05-20 | cif/ hkl/ Adding structures of 1558091 via cif-deposit CGI script. |
1558091.cif 1558091.hkl |
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