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Information card for entry 2009120
Preview
| Coordinates | 2009120.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C17 H10 Cl N3 O S |
|---|---|
| Calculated formula | C17 H10 Cl N3 O S |
| SMILES | Clc1ccccc1c1nn2c(n1)s/c(=C\c1ccccc1)c2=O |
| Title of publication | 6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-<i>b</i>]-1,2,4-triazol-5(6<i>H</i>)-one |
| Authors of publication | Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1939 - 1941 |
| a | 10.741 ± 0.001 Å |
| b | 12.387 ± 0.001 Å |
| c | 12.196 ± 0.002 Å |
| α | 90° |
| β | 112.61 ± 0.01° |
| γ | 90° |
| Cell volume | 1497.9 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.