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Information card for entry 2239082
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| Coordinates | 2239082.cif |
|---|---|
| Structure factors | 2239082.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide |
|---|---|
| Formula | C15 H15 N O4 S |
| Calculated formula | C15 H15 N O4 S |
| SMILES | COc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1C |
| Title of publication | <i>N</i>-(4-Methoxybenzoyl)-2-methylbenzenesulfonamide |
| Authors of publication | Sreenivasa, S.; Palakshamurthy, B. S.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o193 |
| a | 21.807 ± 0.002 Å |
| b | 7.3521 ± 0.0008 Å |
| c | 18.602 ± 0.002 Å |
| α | 90° |
| β | 101.211 ± 0.003° |
| γ | 90° |
| Cell volume | 2925.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2239082.cif 2239082.hkl |
| 181890 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239082.cif 2239082.hkl |
| 181309 | 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 2/23/90. |
2239082.cif 2239082.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. |
2239082.cif 2239082.hkl |
| 104968 | 2014-03-11 | cif/ hkl/ Adding structures of 2239082 via cif-deposit CGI script. |
2239082.cif 2239082.hkl |
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Users of the data should acknowledge the original authors of the
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