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Information card for entry 2241603
Preview
| Coordinates | 2241603.cif |
|---|---|
| Structure factors | 2241603.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) |
|---|---|
| Formula | C8 H13 N5 O3 |
| Calculated formula | C8 H13 N5 O3 |
| Title of publication | Crystal structures of the two salts 2-methyl-1<i>H</i>-imidazol-3-ium nitrate‒2-methyl-1<i>H</i>-imidazole (1/1) and 2-methyl-1<i>H</i>-imidazol-3-ium nitrate |
| Authors of publication | Diop, Mouhamadou Birame; Diop, Libasse; Maris, Thierry |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 482 - 485 |
| a | 10.1879 ± 0.0004 Å |
| b | 10.0912 ± 0.0004 Å |
| c | 11.9055 ± 0.0005 Å |
| α | 90° |
| β | 115.188 ± 0.002° |
| γ | 90° |
| Cell volume | 1107.6 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241603.cif 2241603.hkl |
| 178119 | 2016-03-11 | cif/ hkl/ Adding structures of 2241602, 2241603 via cif-deposit CGI script. |
2241603.cif 2241603.hkl |
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Users of the data should acknowledge the original authors of the
structural data.