Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023036
Preview
| Coordinates | 2023036.cif |
|---|---|
| Structure factors | 2023036.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(2-Azidophenyl)-3-oxo-3<i>H</i>-indole 1-oxide |
|---|---|
| Formula | C14 H8 N4 O2 |
| Calculated formula | C14 H8 N4 O2 |
| Title of publication | Synthesis, characterization, and crystal structure of 2-(2-azido-phen-yl)-3-oxo-3<i>H</i>-indole 1-oxide. |
| Authors of publication | Dhote, Pawan; Tothadi, Srinu; Ramana, Chepuri V. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 310 - 313 |
| a | 7.166 ± 0.002 Å |
| b | 7.686 ± 0.003 Å |
| c | 12.172 ± 0.004 Å |
| α | 95.473 ± 0.016° |
| β | 105.226 ± 0.012° |
| γ | 113.116 ± 0.013° |
| Cell volume | 579.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291112 (current) | 2024-04-06 | cif/ Updating files of 2023036 Original log message: Adding full bibliography for 2023036.cif. |
2023036.cif 2023036.hkl |
| 289906 | 2024-02-21 | cif/ hkl/ Adding structures of 2023036 via cif-deposit CGI script. |
2023036.cif 2023036.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.