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Information card for entry 2202330
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| Coordinates | 2202330.cif |
|---|---|
| Structure factors | 2202330.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,5-Di-p-tolyl-1,3,4-oxadiazole |
|---|---|
| Formula | C16 H14 N2 O |
| Calculated formula | C16 H14 N2 O |
| SMILES | Cc1ccc(cc1)c1nnc(o1)c1ccc(cc1)C |
| Title of publication | 2,5-Di-<i>p</i>-tolyl-1,3,4-oxadiazole |
| Authors of publication | Reck, Günter; Orgzall, Ingo; Schulz, Burkhard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 8 |
| Pages of publication | o1135 - o1136 |
| a | 11.404 ± 0.002 Å |
| b | 11.751 ± 0.002 Å |
| c | 10.87 ± 0.001 Å |
| α | 90° |
| β | 116.62 ± 0.02° |
| γ | 90° |
| Cell volume | 1302.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction 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 | 0.0717 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71069 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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