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Information card for entry 2200138
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| Coordinates | 2200138.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Bis(4-nitrophenylsulfonyl)-1,3-phenylenediamine |
|---|---|
| Chemical name | N,N'-m-Phenylenebis(4-nitrobenzenesulfonamide) |
| Formula | C18 H14 N4 O8 S2 |
| Calculated formula | C18 H14 N4 O8 S2 |
| SMILES | S(=O)(=O)(Nc1cc(NS(=O)(=O)c2ccc(N(=O)=O)cc2)ccc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | <i>N</i>,<i>N</i>'-<i>m</i>-Phenylenebis(4-nitrobenzenesulfonamide) |
| Authors of publication | Heigel, Erik; Bock, Hans |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | o239 - o241 |
| a | 6.8331 ± 0.001 Å |
| b | 16.4997 ± 0.0014 Å |
| c | 17.329 ± 0.0013 Å |
| α | 90° |
| β | 90.216 ± 0.008° |
| γ | 90° |
| Cell volume | 1953.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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