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Information card for entry 8105202
Preview
| Coordinates | 8105202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-carboxyl-4-Nitroimidazol |
|---|---|
| Formula | C4 H5 N3 O5 |
| Calculated formula | C4 H5 N3 O5 |
| Title of publication | The crystal structure of 2-carboxyl-4-nitroimidazole monohydrate, C4H5N3O5 |
| Authors of publication | Wan, Changyuan; Yuan, Jun; Wang, Yong; Qiao, Yanan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 2 |
| Pages of publication | 271 - 272 |
| a | 6.3017 ± 0.0007 Å |
| b | 6.9235 ± 0.0007 Å |
| c | 8.2333 ± 0.0008 Å |
| α | 100.604 ± 0.003° |
| β | 90.862 ± 0.004° |
| γ | 108.102 ± 0.004° |
| Cell volume | 334.6 ± 0.06 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275296 (current) | 2022-05-10 | cif/ Adding structures of 8105202 via cif-deposit CGI script. |
8105202.cif |
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