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Information card for entry 8105687
Preview
| Coordinates | 8105687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N3 O2 |
|---|---|
| Calculated formula | C17 H17 N3 O2 |
| Title of publication | Crystal structure of (E)-(4-imidazol-1-yl-phenyl)-(2-methoxy-benzylidene)-amine monohydrate, C17H17N3O2 |
| Authors of publication | Xiao, Lufei; Li, Jie; Liang, Qirui; Liu, Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 3 |
| Pages of publication | 327 - 329 |
| a | 10.655 ± 0.005 Å |
| b | 5.056 ± 0.005 Å |
| c | 28.712 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 99.034 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1527.6 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277369 (current) | 2022-08-24 | cif/ Adding structures of 8105687 via cif-deposit CGI script. |
8105687.cif |
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Users of the data should acknowledge the original authors of the
structural data.