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Information card for entry 2241213
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| Coordinates | 2241213.cif |
|---|---|
| Structure factors | 2241213.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(4-Fluorophenyl)-4-methoxybenzenesulfonamide |
|---|---|
| Formula | C13 H12 F N O3 S |
| Calculated formula | C13 H12 F N O3 S |
| SMILES | S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(OC)cc1 |
| Title of publication | Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide |
| Authors of publication | Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | 1388 - 1391 |
| a | 20.2188 ± 0.0013 Å |
| b | 12.1199 ± 0.0008 Å |
| c | 5.177 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1268.62 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241213.cif 2241213.hkl |
| 169808 | 2015-10-29 | cif/ hkl/ Adding structures of 2241212, 2241213 via cif-deposit CGI script. |
2241213.cif 2241213.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.