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Information card for entry 1519226
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| Coordinates | 1519226.cif |
|---|---|
| External links | PubChem |
| Common name | Benzenesulfonamido-5-methylpyridine |
|---|---|
| Chemical name | Benzenrsulfonamido-5-methylpyridine |
| Formula | C12 H12 N2 O2 S |
| Calculated formula | C12 H12 N2 O2 S |
| SMILES | S(=O)(=O)(N=c1[nH]cc(cc1)C)c1ccccc1 |
| Title of publication | N-(5-Methyl-pyridin-2-yl)-benzenesulfonamide |
| Authors of publication | Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 163 |
| a | 11.754 ± 0.002 Å |
| b | 13.88 ± 0.003 Å |
| c | 7.205 ± 0.001 Å |
| α | 90° |
| β | 107.18 ± 0.03° |
| γ | 90° |
| Cell volume | 1123 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519226.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519226.cif |
| 135544 | 2015-05-05 | cif/ Adding structures of 1519226 via cif-deposit CGI script. |
1519226.cif |
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Users of the data should acknowledge the original authors of the
structural data.