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Information card for entry 2238788
Preview
| Coordinates | 2238788.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide |
|---|---|
| Formula | C14 H12 Cl N O4 S |
| Calculated formula | C14 H12 Cl N O4 S |
| SMILES | COc1ccccc1C(=O)NS(=O)(=O)c1ccccc1Cl |
| Title of publication | <i>N</i>-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide |
| Authors of publication | Sreenivasa, S.; Palakshamurthy, B. S.; Suresha, E.; Tonannavar, J.; Jayashree, Yenagi; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | o1716 |
| a | 8.0508 ± 0.0003 Å |
| b | 12.9487 ± 0.0004 Å |
| c | 14.1915 ± 0.0005 Å |
| α | 83.897 ± 0.002° |
| β | 89.368 ± 0.002° |
| γ | 89.704 ± 0.002° |
| Cell volume | 1470.94 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1435 |
| Weighted residual factors for all reflections included in the refinement | 0.1628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
2238788.cif |
| 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. |
2238788.cif |
| 91204 | 2013-12-09 | cif/ Adding structures of 2238788 via cif-deposit CGI script. |
2238788.cif |
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Users of the data should acknowledge the original authors of the
structural data.