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Information card for entry 8107332
Preview
| Coordinates | 8107332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N5 O2 |
|---|---|
| Calculated formula | C10 H11 N5 O2 |
| SMILES | O=C(NC(=O)c1nccn1C)c1n(C)ccn1 |
| Title of publication | The crystal structure of 1-methyl-N-(1-methyl-1H-imidazole-2-carbonyl)-1H-imidazole-2-carboxamide, C10H11N5O2 |
| Authors of publication | Nie, Jing; Jiahui, Mou; Wenxiang, Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1195 - 1196 |
| a | 22.6173 ± 0.0013 Å |
| b | 4.873 ± 0.0003 Å |
| c | 9.9921 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1101.27 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284427 (current) | 2023-06-09 | cif/ Adding structures of 8107332 via cif-deposit CGI script. |
8107332.cif |
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Users of the data should acknowledge the original authors of the
structural data.