Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023357
Preview
| Coordinates | 2023357.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 4,4'-Methylenebis(3-chloro-2,6-diethylaniline) |
|---|---|
| Chemical name | 4,4'-(MethAnediyl)bis(3-chloro-2,6-diethylaniline) |
| Formula | C21 H28 Cl2 N2 |
| Calculated formula | C21 H28 Cl2 N2 |
| Title of publication | Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline) |
| Authors of publication | Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 8.993 ± 0.003 Å |
| b | 9.654 ± 0.0013 Å |
| c | 12.216 ± 0.004 Å |
| α | 69.352 ± 0.011° |
| β | 77.257 ± 0.012° |
| γ | 87.67 ± 0.008° |
| Cell volume | 967.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.75268 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297375 (current) | 2025-01-18 | cif/ Adding structures of 2023356, 2023357 via cif-deposit CGI script. |
2023357.cif |
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.