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Information card for entry 2006112
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| Coordinates | 2006112.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-aminotoluene-3-sulfonic acid hemihydrate |
|---|---|
| Formula | C7 H10 N O3.5 S |
| Calculated formula | C7 H10 N O3.5 S |
| Title of publication | Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid |
| Authors of publication | Leonard, Melvin A.; Squattrito, Philip J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 648 - 651 |
| a | 15.908 ± 0.002 Å |
| b | 7.337 ± 0.005 Å |
| c | 16.798 ± 0.002 Å |
| α | 90° |
| β | 117.145 ± 0.006° |
| γ | 90° |
| Cell volume | 1744.7 ± 1.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Goodness-of-fit parameter for significantly intense reflections | 1.95 |
| Diffraction radiation wavelength | 0.7107 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
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