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Information card for entry 8106939
Preview
| Coordinates | 8106939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cl N3 O |
|---|---|
| Calculated formula | C18 H20 Cl N3 O |
| Title of publication | Crystal structure of (E)-4-chloro-N′-(4-(diethylamino)benzylidene)benzohydrazide, C18H20ClN3O |
| Authors of publication | Jiang, Xue-Yue; Chen, Lan-Lan; Hu, Sen-Sen; Liu, He-Yu; Xu, Hua-Jie; Song, Chong-Fu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 557 - 559 |
| a | 10.0099 ± 0.0003 Å |
| b | 16.2337 ± 0.0006 Å |
| c | 21.0714 ± 0.0007 Å |
| α | 90° |
| β | 91.324 ± 0.003° |
| γ | 90° |
| Cell volume | 3423.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.713 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281890 (current) | 2023-03-15 | cif/ Adding structures of 8106939 via cif-deposit CGI script. |
8106939.cif |
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Users of the data should acknowledge the original authors of the
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