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Information card for entry 8105200
Preview
| Coordinates | 8105200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 N3 O3 |
|---|---|
| Calculated formula | C4 H5 N3 O3 |
| Title of publication | The crystal structure of 1-methyl-2-nitro-1H-imidazole 3-oxide, C4H5N3O3 |
| Authors of publication | Yuan, Jun; Wu, Bingheng; Wang, Yong; Wang, Jianlong; Cao, Duanlin; Chen, Lizhen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 2 |
| Pages of publication | 267 - 268 |
| a | 8.4556 ± 0.0002 Å |
| b | 7.0609 ± 0.0003 Å |
| c | 9.5928 ± 0.0004 Å |
| α | 90° |
| β | 90.12 ± 0.02° |
| γ | 90° |
| Cell volume | 572.73 ± 0.04 Å3 |
| Cell temperature | 140 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275294 (current) | 2022-05-10 | cif/ Adding structures of 8105200 via cif-deposit CGI script. |
8105200.cif |
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Users of the data should acknowledge the original authors of the
structural data.