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Information card for entry 2019809
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| Coordinates | 2019809.cif |
|---|---|
| Structure factors | 2019809.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(1-Methyl-5-nitro-1<i>H</i>-imidazol-2-yl)methyl]pyridinium iodide |
|---|---|
| Formula | C10 H11 I N4 O2 |
| Calculated formula | C10 H11 I N4 O2 |
| SMILES | c1(cnc(C[n+]2ccccc2)n1C)N(=O)=O.[I-] |
| Title of publication | Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]pyridinium iodide |
| Authors of publication | Belguedj, Roumaissa; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o133 |
| a | 11.035 ± 0.007 Å |
| b | 9.073 ± 0.006 Å |
| c | 12.859 ± 0.008 Å |
| α | 90° |
| β | 91.69 ± 0.02° |
| γ | 90° |
| Cell volume | 1286.9 ± 1.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019809.cif 2019809.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019809.cif 2019809.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019809.cif 2019809.hkl |
| 130194 | 2015-01-29 | cif/ hkl/ Adding structures of 2019809 via cif-deposit CGI script. |
2019809.cif 2019809.hkl |
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Users of the data should acknowledge the original authors of the
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