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Information card for entry 8107458
Preview
| Coordinates | 8107458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 Cl3 N2 O |
|---|---|
| Calculated formula | C14 H11 Cl3 N2 O |
| SMILES | c1(cc(cc(c1)Cl)Cl)NC(=O)NCc1c(cccc1)Cl |
| Title of publication | The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O |
| Authors of publication | Li, Yingju; Yang, Zhimao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 421 - 423 |
| a | 8.36 ± 0.0004 Å |
| b | 12.0085 ± 0.0008 Å |
| c | 14.3665 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1442.27 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285141 (current) | 2023-07-11 | cif/ Adding structures of 8107458 via cif-deposit CGI script. |
8107458.cif |
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