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Information card for entry 2006528
Preview
| Coordinates | 2006528.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole |
|---|---|
| Formula | C15 H10 Cl F N2 S |
| Calculated formula | C15 H10 Cl F N2 S |
| SMILES | S1C(n2c(C1)nc1c2cccc1)c1c(Cl)cccc1F |
| Title of publication | 1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives |
| Authors of publication | Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1337 - 1341 |
| a | 22.093 ± 0.005 Å |
| b | 7.878 ± 0.001 Å |
| c | 31.473 ± 0.005 Å |
| α | 90° |
| β | 100.28 ± 0.03° |
| γ | 90° |
| Cell volume | 5389.9 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1274 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections | 0.2136 |
| Weighted residual factors for significantly intense reflections | 0.1892 |
| Goodness-of-fit parameter for all reflections | 0.905 |
| Goodness-of-fit parameter for significantly intense reflections | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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