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Information card for entry 2011126
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| Coordinates | 2011126.cif |
|---|---|
| Structure factors | 2011126.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene |
|---|---|
| Formula | C20 H16 Cl2 O4 S2 |
| Calculated formula | C20 H16 Cl2 O4 S2 |
| SMILES | Cc1cc(c(cc1S(=O)(=O)c1ccc(cc1)Cl)C)S(=O)(=O)c1ccc(cc1)Cl |
| Title of publication | Hydrogen-bonded molecular ladders in 1,4-bis(4-chlorophenylsulfonyl)-2,5-dimethylbenzene |
| Authors of publication | Wardell, James L; Low, John N; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 862 - 864 |
| a | 5.4859 ± 0.0002 Å |
| b | 6.9595 ± 0.0004 Å |
| c | 12.5211 ± 0.0007 Å |
| α | 98.6245 ± 0.0017° |
| β | 93.561 ± 0.004° |
| γ | 92.174 ± 0.003° |
| Cell volume | 471.19 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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