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Information card for entry 1545039
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| Coordinates | 1545039.cif |
|---|---|
| Structure factors | 1545039.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide |
|---|---|
| Formula | C13 H9 Cl I N O3 S |
| Calculated formula | C13 H9 Cl I N O3 S |
| SMILES | c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1ccc(cc1)I |
| Title of publication | <i>N</i>-(4-Chlorophenylsulfonyl)-4-iodobenzamide |
| Authors of publication | Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Warad, Ismail |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x170025 |
| a | 18.1163 ± 0.0018 Å |
| b | 13.3947 ± 0.0013 Å |
| c | 12.3002 ± 0.0013 Å |
| α | 90° |
| β | 104.223 ± 0.004° |
| γ | 90° |
| Cell volume | 2893.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190495 (current) | 2017-01-14 | cif/ hkl/ Adding structures of 1545039 via cif-deposit CGI script. |
1545039.cif 1545039.hkl |
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Users of the data should acknowledge the original authors of the
structural data.