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Information card for entry 2236423
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| Coordinates | 2236423.cif |
|---|---|
| Structure factors | 2236423.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl] benzenesulfonamide |
|---|---|
| Formula | C20 H17 F2 N O4 S2 |
| Calculated formula | C20 H17 F2 N O4 S2 |
| SMILES | c1(c(c(ccc1)C)C)N(S(=O)(=O)c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)F |
| Title of publication | <i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl]benzenesulfonamide |
| Authors of publication | Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o2973 |
| a | 9.9493 ± 0.0005 Å |
| b | 14.7107 ± 0.0008 Å |
| c | 26.6871 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3906 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236423.cif 2236423.hkl |
| 181286 | 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 2/23/64. |
2236423.cif 2236423.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. |
2236423.cif 2236423.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236423.cif 2236423.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236423.cif 2236423.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236423.cif 2236423.hkl |
| 69997 | 2012-12-21 | cif/ Adding structures of 2236423 via cif-deposit CGI script. |
2236423.cif |
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Users of the data should acknowledge the original authors of the
structural data.