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Information card for entry 2020987
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| Coordinates | 2020987.cif |
|---|---|
| Structure factors | 2020987.hkl |
| Original IUCr paper | HTML |
| Common name | Sulfanilic acid dihydrate |
|---|---|
| Chemical name | 4-Aminobenzene-1-sulfonic acid dihydrate |
| Formula | C6 H11 N O5 S |
| Calculated formula | C6 H11 N O5 S |
| SMILES | S(=O)(=O)([O-])c1ccc([NH3+])cc1.O.O |
| Title of publication | The ephemeral dihydrate of sulfanilic acid |
| Authors of publication | Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 7 - 12 |
| a | 11.3338 ± 0.0006 Å |
| b | 5.765 ± 0.0003 Å |
| c | 13.9048 ± 0.0008 Å |
| α | 90° |
| β | 110.371 ± 0.0011° |
| γ | 90° |
| Cell volume | 851.71 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205708 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2020987 via cif-deposit CGI script. |
2020987.cif 2020987.hkl |
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