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Information card for entry 8106839
Preview
| Coordinates | 8106839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 Cl N5 |
|---|---|
| Calculated formula | C12 H20 Cl N5 |
| SMILES | Clc1nc(nc(n1)N(CC)CC)N1CCCCC1 |
| Title of publication | Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5 |
| Authors of publication | Ghabbour, Hazem A.; El-Faham, Ayman |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 243 - 245 |
| a | 8.7253 ± 0.0003 Å |
| b | 8.9973 ± 0.0004 Å |
| c | 9.3025 ± 0.0004 Å |
| α | 90.982 ± 0.002° |
| β | 110.76 ± 0.001° |
| γ | 94.662 ± 0.002° |
| Cell volume | 679.78 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| 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 |
|---|---|---|---|
| 281659 (current) | 2023-03-06 | cif/ Adding structures of 8106839 via cif-deposit CGI script. |
8106839.cif |
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Users of the data should acknowledge the original authors of the
structural data.