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Information card for entry 2238404
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| Coordinates | 2238404.cif |
|---|---|
| Structure factors | 2238404.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 4-sulfomylanilinium perchlorate |
|---|---|
| Chemical name | 4-Sulfomylanilinium perchlorate |
| Formula | C6 H9 Cl N2 O6 S |
| Calculated formula | C6 H9 Cl N2 O6 S |
| SMILES | c1(ccc(cc1)[NH3+])S(=O)(=O)N.Cl(=O)(=O)(=O)[O-] |
| Title of publication | 4-Sulfamoylanilinium perchlorate |
| Authors of publication | Anitha, R.; Athimoolam, S.; Gunasekaran, M.; Sridhar, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1236 |
| a | 4.9158 ± 0.001 Å |
| b | 10.514 ± 0.002 Å |
| c | 9.814 ± 0.002 Å |
| α | 90° |
| β | 93.716 ± 0.003° |
| γ | 90° |
| Cell volume | 506.17 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238404.cif 2238404.hkl |
| 181306 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/84. |
2238404.cif 2238404.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238404.cif 2238404.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238404.cif 2238404.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238404.cif 2238404.hkl |
| 88250 | 2013-09-04 | cif/ Adding structures of 2238404 via cif-deposit CGI script. |
2238404.cif |
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Users of the data should acknowledge the original authors of the
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