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Information card for entry 8107411
Preview
| Coordinates | 8107411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H23 N3 O2 |
|---|---|
| Calculated formula | C15 H23 N3 O2 |
| SMILES | c1(c(cc(cc1)N(CC)CC)O)/C=N/N1CCOCC1 |
| Title of publication | Crystal structure of (E)-5-(diethylamino)-2-((morpholinoimino)methyl)phenol, C15H23N3O2 |
| Authors of publication | Zhang, Shi-Lin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 259 - 260 |
| a | 7.5122 ± 0.0015 Å |
| b | 7.8955 ± 0.0016 Å |
| c | 12.875 ± 0.003 Å |
| α | 90° |
| β | 92.919 ± 0.003° |
| γ | 90° |
| Cell volume | 762.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1629 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284519 (current) | 2023-06-21 | cif/ Adding structures of 8107411 via cif-deposit CGI script. |
8107411.cif |
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Users of the data should acknowledge the original authors of the
structural data.