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Information card for entry 8105201
Preview
| Coordinates | 8105201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 N3 O2 |
|---|---|
| Calculated formula | C4 H5 N3 O2 |
| Title of publication | The crystal structure of 1-methyl-2-nitroimidazole, C4H5N3O2 |
| Authors of publication | Qiao, Yanan; Yuan, Jun; Wan, Changyuan; Li, Yuexia; Wang, Yong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 2 |
| Pages of publication | 269 - 270 |
| a | 4.0668 ± 0.0013 Å |
| b | 11.198 ± 0.004 Å |
| c | 6.137 ± 0.002 Å |
| α | 90° |
| β | 97.033 ± 0.011° |
| γ | 90° |
| Cell volume | 277.38 ± 0.16 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275295 (current) | 2022-05-10 | cif/ Adding structures of 8105201 via cif-deposit CGI script. |
8105201.cif |
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Users of the data should acknowledge the original authors of the
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