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Information card for entry 8104902
Preview
| Coordinates | 8104902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-azido-<i>N</i>-phenylacetamide |
|---|---|
| Formula | C8 H8 N4 O |
| Calculated formula | C8 H8 N4 O |
| SMILES | O=C(Nc1ccccc1)CN=N#N |
| Title of publication | Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O |
| Authors of publication | Guerrab, Walid; Missioui, Mohcine; Zaoui, Younes; Mague, Joel T.; Ramli, Youssef |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 133 - 134 |
| a | 5.8085 ± 0.0013 Å |
| b | 16.533 ± 0.004 Å |
| c | 18.171 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1745 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274041 (current) | 2022-03-28 | cif/ Adding structures of 8104902 via cif-deposit CGI script. |
8104902.cif |
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