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Information card for entry 2101615
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| Coordinates | 2101615.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | dipyridylamine |
|---|---|
| Chemical name | 2,2'-dipyridylamine |
| Formula | C10 H9 N3 |
| Calculated formula | C10 H9 N3 |
| SMILES | N(c1ncccc1)c1ncccc1 |
| Title of publication | Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities |
| Authors of publication | Schödel, H.; Näther, C.; Bock, H.; Butenschön, F. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 5 |
| Pages of publication | 842 - 853 |
| a | 9.001 ± 0.001 Å |
| b | 8.262 ± 0.001 Å |
| c | 24.234 ± 0.001 Å |
| α | 90° |
| β | 98.88 ± 0.01° |
| γ | 90° |
| Cell volume | 1780.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for all reflections | 0.1058 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Goodness-of-fit parameter for all reflections | 1.032 |
| Goodness-of-fit parameter for significantly intense reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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