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Information card for entry 2204239
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione |
|---|---|
| Formula | C15 H13 N3 S |
| Calculated formula | C15 H13 N3 S |
| SMILES | S=C1N(c2ccccc2)C(=NN1)Cc1ccccc1 |
| Title of publication | 5-Benzyl-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione |
| Authors of publication | Mehmet Akkurt; Sema Öztürk; Süleyman Servi; Ahmet Cansız; Memet Şekerci; Canan Kazak |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | o1507 - o1509 |
| a | 7.0467 ± 0.0005 Å |
| b | 17.6802 ± 0.0013 Å |
| c | 11.2725 ± 0.0007 Å |
| α | 90° |
| β | 104.355 ± 0.005° |
| γ | 90° |
| Cell volume | 1360.56 ± 0.17 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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