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Information card for entry 1572818
Preview
| Coordinates | 1572818.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide |
|---|---|
| Formula | C19 H15 Br N2 O |
| Calculated formula | C19 H15 Br N2 O |
| Title of publication | 4-Bromo-N,N′-diphenylbenzimidamide N′-oxide |
| Authors of publication | Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S. |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 10 |
| a | 17.7036 ± 0.0016 Å |
| b | 5.8468 ± 0.0006 Å |
| c | 31.418 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3252.1 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295380 (current) | 2024-10-09 | cif/ Adding structures of 1572818 via cif-deposit CGI script. |
1572818.cif |
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