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Information card for entry 2011025
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| Coordinates | 2011025.cif |
|---|---|
| Structure factors | 2011025.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H10 N4 |
|---|---|
| Calculated formula | C12 H10 N4 |
| SMILES | n1ccc(cc1)/C=N/N=C/c1ccncc1 |
| Title of publication | Pyridine-4-carbaldehyde azine |
| Authors of publication | Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhang, Jing; Xiong, Ren-Geng; You, Xiao-Zeng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e274 - e275 |
| a | 3.8515 ± 0.0003 Å |
| b | 11.0201 ± 0.0008 Å |
| c | 12.7303 ± 0.0009 Å |
| α | 90° |
| β | 92.312 ± 0.002° |
| γ | 90° |
| Cell volume | 539.88 ± 0.07 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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