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Information card for entry 2012214
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| Coordinates | 2012214.cif |
|---|---|
| Structure factors | 2012214.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4'-{[benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide |
|---|---|
| Formula | C22 H18 Cl N3 O4 S |
| Calculated formula | C22 H18 Cl N3 O4 S |
| SMILES | S(=O)(=O)(C(=N\Nc1ccc(Cl)cc1)/C(=O)c1ccccc1)c1ccc(NC(=O)C)cc1 |
| Title of publication | X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide |
| Authors of publication | Wolf, Wojciech M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | 1112 - 1115 |
| a | 11.603 ± 0.004 Å |
| b | 7.596 ± 0.001 Å |
| c | 24.11 ± 0.004 Å |
| α | 90° |
| β | 96.44 ± 0.02° |
| γ | 90° |
| Cell volume | 2111.6 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.087 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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