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Information card for entry 2007440
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| Coordinates | 2007440.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-anilinyl-4-toluenesulfonate |
|---|---|
| Formula | C13 H13 N O3 S |
| Calculated formula | C13 H13 N O3 S |
| SMILES | S(=O)(=O)(Oc1cccc(N)c1)c1ccc(cc1)C |
| Title of publication | <i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline |
| Authors of publication | Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 954 - 955 |
| a | 9.9807 ± 0.0007 Å |
| b | 7.5585 ± 0.0006 Å |
| c | 17.0244 ± 0.0012 Å |
| α | 90° |
| β | 90.196 ± 0.007° |
| γ | 90° |
| Cell volume | 1284.3 ± 0.16 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections | 0.107 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Goodness-of-fit parameter for all reflections | 0.901 |
| Goodness-of-fit parameter for significantly intense reflections | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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