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Information card for entry 2023499
Preview
| Coordinates | 2023499.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate |
|---|---|
| Formula | C15 H12 Cl3 N O2 |
| Calculated formula | C15 H12 Cl3 N O2 |
| Title of publication | Crystal structure of chloromethyl 2-[2-(2,6-dichlorophenylamino)phenyl]acetate |
| Authors of publication | Keydel, Tobias; Bandaru, Siva S. M.; Schulig, Lukas; Link, Andreas; Schulzke, Carola |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 15.1487 ± 0.0001 Å |
| b | 9.2389 ± 0.0001 Å |
| c | 10.8661 ± 0.0001 Å |
| α | 90° |
| β | 94.242 ± 0.001° |
| γ | 90° |
| Cell volume | 1516.62 ± 0.02 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299650 (current) | 2025-05-14 | cif/ Adding structures of 2023499 via cif-deposit CGI script. |
2023499.cif |
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