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Information card for entry 8107673
Preview
| Coordinates | 8107673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 Cl2 N2 O2 |
|---|---|
| Calculated formula | C17 H14 Cl2 N2 O2 |
| SMILES | CCOC(=O)c1ccccc1Nc1c(cc(cc1Cl)CC#N)Cl |
| Title of publication | Crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl) amino)benzoate, C17H14Cl2N2O2 |
| Authors of publication | Zhao, Meimei; Du, Mo; Liu, Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1105 - 1106 |
| a | 8.4863 ± 0.0017 Å |
| b | 12.654 ± 0.002 Å |
| c | 15.088 ± 0.003 Å |
| α | 90° |
| β | 103.612 ± 0.005° |
| γ | 90° |
| Cell volume | 1574.7 ± 0.5 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1308 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287773 (current) | 2023-11-24 | cif/ Adding structures of 8107673 via cif-deposit CGI script. |
8107673.cif |
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Users of the data should acknowledge the original authors of the
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