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Information card for entry 8105790
Preview
| Coordinates | 8105790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 F N2 O |
|---|---|
| Calculated formula | C14 H13 F N2 O |
| SMILES | c1(cc(c(cc1)/C(=N/c1c(cccc1)N)C)O)F |
| Title of publication | Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-5-fluorophenol, C14H13FN2O |
| Authors of publication | Bai, Ling; Hong, Yong; Liu, Wei; Wu, Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 593 - 594 |
| a | 7.1841 ± 0.0006 Å |
| b | 23.3361 ± 0.0017 Å |
| c | 7.1672 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1201.57 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277979 (current) | 2022-09-19 | cif/ Adding structures of 8105790 via cif-deposit CGI script. |
8105790.cif |
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Users of the data should acknowledge the original authors of the
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