Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567405
Preview
| Coordinates | 1567405.cif |
|---|---|
| Structure factors | 1567405.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Azido-<i>N</i>-(4-methylphenyl)acetamide |
|---|---|
| Formula | C9 H10 N4 O |
| Calculated formula | C9 H10 N4 O |
| Title of publication | 2-Azido-<i>N</i>-(4-methylphenyl)acetamide |
| Authors of publication | Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | x220621 |
| a | 14.4362 ± 0.0004 Å |
| b | 21.3403 ± 0.0006 Å |
| c | 9.2949 ± 0.0003 Å |
| α | 90° |
| β | 98.356 ± 0.001° |
| γ | 90° |
| Cell volume | 2833.11 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277015 (current) | 2022-07-30 | cif/ hkl/ Adding structures of 1567405 via cif-deposit CGI script. |
1567405.cif 1567405.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.