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Information card for entry 8106275
Preview
| Coordinates | 8106275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Br N2 O |
|---|---|
| Calculated formula | C14 H13 Br N2 O |
| SMILES | Brc1cc(/C(=N/c2c(cccc2)N)C)c(O)cc1 |
| Title of publication | Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O |
| Authors of publication | Hong, Yong; Liu, Wei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 725 - 726 |
| a | 6.8679 ± 0.0005 Å |
| b | 7.7096 ± 0.0005 Å |
| c | 12.4043 ± 0.0007 Å |
| α | 90° |
| β | 101.332 ± 0.002° |
| γ | 90° |
| Cell volume | 643.99 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| 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 |
|---|---|---|---|
| 279596 (current) | 2022-11-28 | cif/ Adding structures of 8106275 via cif-deposit CGI script. |
8106275.cif |
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Users of the data should acknowledge the original authors of the
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