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Information card for entry 2008188
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| Coordinates | 2008188.cif |
|---|---|
| Structure factors | 2008188.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,5-Di(2-chlorophenyl)-1,2,4-triazole-3-thione. |
|---|---|
| Formula | C14 H9 Cl2 N3 S |
| Calculated formula | C14 H9 Cl2 N3 S |
| Title of publication | 3,4-Bis(2-chlorophenyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione |
| Authors of publication | Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Vayalakkavoor T. Ramakrishnan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | IUC9900005 |
| a | 7.0377 ± 0.0001 Å |
| b | 25.6325 ± 0.0002 Å |
| c | 8.7769 ± 0.0001 Å |
| α | 90° |
| β | 108.731 ± 0.001° |
| γ | 90° |
| Cell volume | 1499.44 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.114 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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