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Information card for entry 8105483
Preview
| Coordinates | 8105483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 Br Cl I N O2 |
|---|---|
| Calculated formula | C15 H10 Br Cl I N O2 |
| Title of publication | Crystal structure of (2-amino-5-bromo-3-iodophenyl)(3-(4-chlorophenyl)oxiran-2-yl)methanone, C15H10BrClINO2 |
| Authors of publication | Maluleka, Marole M.; Mphahlele, Malose J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1421 - 1423 |
| a | 5.0083 ± 0.0002 Å |
| b | 9.7548 ± 0.0003 Å |
| c | 31.964 ± 0.001 Å |
| α | 90° |
| β | 92.576 ± 0.002° |
| γ | 90° |
| Cell volume | 1560.02 ± 0.09 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0498 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276189 (current) | 2022-06-23 | cif/ Adding structures of 8105483 via cif-deposit CGI script. |
8105483.cif |
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Users of the data should acknowledge the original authors of the
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