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Information card for entry 8106875
Preview
| Coordinates | 8106875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Br N2 |
|---|---|
| Calculated formula | C19 H17 Br N2 |
| Title of publication | Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-2,3-dihydro-1H-perimidine, C19H17BrN2 |
| Authors of publication | Yuan, Lin; Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 361 - 363 |
| a | 11.506 ± 0.005 Å |
| b | 12.176 ± 0.005 Å |
| c | 11.327 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1586.9 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281732 (current) | 2023-03-08 | cif/ Adding structures of 8106875 via cif-deposit CGI script. |
8106875.cif |
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Users of the data should acknowledge the original authors of the
structural data.