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Information card for entry 1545555
Preview
| Coordinates | 1545555.cif |
|---|---|
| Structure factors | 1545555.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide |
|---|---|
| Formula | C12 H7 Cl4 N O2 S |
| Calculated formula | C12 H7 Cl4 N O2 S |
| SMILES | c1(cc(cc(c1)Cl)Cl)S(=O)(=O)Nc1c(cc(cc1)Cl)Cl |
| Title of publication | 3,5-Dichloro-<i>N</i>-(2,4-dichlorophenyl)benzenesulfonamide |
| Authors of publication | Shakuntala, K.; Lokanath, N. K.; Naveen, S.; Suchetan, P. A. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | x170372 |
| a | 8.1107 ± 0.0004 Å |
| b | 8.2615 ± 0.0004 Å |
| c | 11.2048 ± 0.0005 Å |
| α | 86.791 ± 0.002° |
| β | 70.625 ± 0.002° |
| γ | 85.783 ± 0.002° |
| Cell volume | 705.96 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1818 |
| Weighted residual factors for all reflections included in the refinement | 0.1902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194187 (current) | 2017-03-11 | cif/ hkl/ Adding structures of 1545555 via cif-deposit CGI script. |
1545555.cif 1545555.hkl |
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Users of the data should acknowledge the original authors of the
structural data.