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Information card for entry 2203460
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| Coordinates | 2203460.cif |
|---|---|
| Structure factors | 2203460.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,5-Bis(4-pyridyl)-1,3,4-thiadiazole |
|---|---|
| Formula | C12 H8 N4 S |
| Calculated formula | C12 H8 N4 S |
| SMILES | n1ccc(cc1)c1nnc(s1)c1ccncc1 |
| Title of publication | 2,5-Bis(4-pyridyl)-1,3,4-thiadiazole |
| Authors of publication | Du, Miao; Zhao, Xiao-Jun; Li, Cheng-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 4 |
| Pages of publication | o706 - o707 |
| a | 26.179 ± 0.009 Å |
| b | 5.8223 ± 0.0017 Å |
| c | 7.169 ± 0.003 Å |
| α | 90° |
| β | 105.855 ± 0.009° |
| γ | 90° |
| Cell volume | 1051.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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