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Information card for entry 2204941
Preview
| Coordinates | 2204941.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-(3-Methylphenyl)-3,5-di-2-pyridyl-4H-1,2,4-triazole |
|---|---|
| Formula | C19 H15 N5 |
| Calculated formula | C19 H15 N5 |
| Title of publication | 4-(3-Methylphenyl)-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole |
| Authors of publication | Zhang, Shu-Ping; You, Zhong-Lu; Shao, Si-Chang; Zhu, Hai-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | o27 - o28 |
| a | 11.229 ± 0.001 Å |
| b | 9.207 ± 0.001 Å |
| c | 19.086 ± 0.001 Å |
| α | 90° |
| β | 125.4 ± 0.01° |
| γ | 90° |
| Cell volume | 1608.4 ± 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 | 0.1261 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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