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Information card for entry 2241352
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| Coordinates | 2241352.cif |
|---|---|
| Structure factors | 2241352.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide |
|---|---|
| Formula | C15 H24 N2 O2 S |
| Calculated formula | C15 H24 N2 O2 S |
| SMILES | S(=O)(=O)(N[C@@H]1[C@@H](N)CCCC1)c1c(cc(cc1C)C)C |
| Title of publication | Crystal structure of <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide |
| Authors of publication | Ngassa, Felix N.; Biros, Shannon M.; Staples, Richard J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1521 - 1524 |
| a | 6.5215 ± 0.0004 Å |
| b | 10.0202 ± 0.0006 Å |
| c | 23.366 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1526.89 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241352.cif 2241352.hkl |
| 181914 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241352.cif 2241352.hkl |
| 170469 | 2015-11-22 | cif/ hkl/ Adding structures of 2241352 via cif-deposit CGI script. |
2241352.cif 2241352.hkl |
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Users of the data should acknowledge the original authors of the
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