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Information card for entry 2019266
Preview
| Coordinates | 2019266.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | <i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide |
|---|---|
| Chemical name | <i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide |
| Formula | C14 H16 N2 O2 S |
| Calculated formula | C14 H16 N2 O2 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)NCCc1ccccn1 |
| Title of publication | <i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination |
| Authors of publication | Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | 1397 - 1401 |
| a | 7.6869 ± 0.0005 Å |
| b | 15.7109 ± 0.001 Å |
| c | 22.6742 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2738.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019266.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019266.cif |
| 91251 | 2013-12-09 | cif/ Adding structures of 2019264, 2019265, 2019266 via cif-deposit CGI script. |
2019266.cif |
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Users of the data should acknowledge the original authors of the
structural data.