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Information card for entry 8107491
Preview
| Coordinates | 8107491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H19 Cl N2 O |
|---|---|
| Calculated formula | C14 H19 Cl N2 O |
| SMILES | c1(ccccc1NC(=O)NC1CCCCCC1)Cl |
| Title of publication | The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O |
| Authors of publication | Li, Yuanci; Feng, Zhiqiang; Tong, Hongjuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 547 - 549 |
| a | 8.9579 ± 0.0003 Å |
| b | 12.2172 ± 0.0004 Å |
| c | 12.5669 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1375.33 ± 0.08 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285978 (current) | 2023-09-04 | cif/ Adding structures of 8107491 via cif-deposit CGI script. |
8107491.cif |
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