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Information card for entry 7241201
Preview
| Coordinates | 7241201.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 Br N2 O2 |
|---|---|
| Calculated formula | C15 H13 Br N2 O2 |
| Title of publication | The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids |
| Authors of publication | Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.792 ± 0.004 Å |
| b | 9.705 ± 0.003 Å |
| c | 9.938 ± 0.005 Å |
| α | 94.41 ± 0.04° |
| β | 106.41 ± 0.05° |
| γ | 110.28 ± 0.03° |
| Cell volume | 663.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256291 (current) | 2020-09-10 | cif/ Adding structures of 7241199, 7241200, 7241201 via cif-deposit CGI script. |
7241201.cif |
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Users of the data should acknowledge the original authors of the
structural data.