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Information card for entry 8107599
Preview
| Coordinates | 8107599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 N3 O3 |
|---|---|
| Calculated formula | C6 H9 N3 O3 |
| Title of publication | The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3 |
| Authors of publication | Jun, Yuan; Bingheng, Wu; Yong, Wang; Jianlong, Wang; Duanlin, Cao; Lizhen, Chen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 917 - 918 |
| a | 9.5584 ± 0.0004 Å |
| b | 6.7828 ± 0.0003 Å |
| c | 12.8337 ± 0.0006 Å |
| α | 90° |
| β | 103.881 ± 0.001° |
| γ | 90° |
| Cell volume | 807.74 ± 0.06 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286901 (current) | 2023-10-11 | cif/ Adding structures of 8107599 via cif-deposit CGI script. |
8107599.cif |
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Users of the data should acknowledge the original authors of the
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