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Information card for entry 8106334
Preview
| Coordinates | 8106334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 Br N2 O2 |
|---|---|
| Calculated formula | C17 H15 Br N2 O2 |
| Title of publication | Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethanone oxime, C17H15BrN2O2 |
| Authors of publication | Mphahlele, Malose J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 889 - 891 |
| a | 14.4197 ± 0.0009 Å |
| b | 7.5423 ± 0.0005 Å |
| c | 14.9602 ± 0.0009 Å |
| α | 90° |
| β | 114.665 ± 0.002° |
| γ | 90° |
| Cell volume | 1478.59 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279726 (current) | 2022-12-06 | cif/ Adding structures of 8106334 via cif-deposit CGI script. |
8106334.cif |
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Users of the data should acknowledge the original authors of the
structural data.