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Information card for entry 2241602
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| Coordinates | 2241602.cif |
|---|---|
| Structure factors | 2241602.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-1<i>H</i>-imidazol-3-ium nitrate |
|---|---|
| Formula | C4 H7 N3 O3 |
| Calculated formula | C4 H7 N3 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 | 14.1402 ± 0.0011 Å |
| b | 6.2297 ± 0.0005 Å |
| c | 7.4571 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 656.89 ± 0.09 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2241602.cif 2241602.hkl |
| 178119 | 2016-03-11 | cif/ hkl/ Adding structures of 2241602, 2241603 via cif-deposit CGI script. |
2241602.cif 2241602.hkl |
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Users of the data should acknowledge the original authors of the
structural data.