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Information card for entry 2244070
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| Coordinates | 2244070.cif |
|---|---|
| Structure factors | 2244070.hkl |
| Original IUCr paper | HTML |
| Common name | Bromopropamide |
|---|---|
| Chemical name | 4-Bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide |
| Formula | C10 H13 Br N2 O3 S |
| Calculated formula | C10 H13 Br N2 O3 S |
| SMILES | Brc1ccc(S(=O)(=O)NC(=O)NCCC)cc1 |
| Title of publication | Crystal structure of 4-bromo-<i>N</i>-(propylcarbamoyl)benzenesulfonamide |
| Authors of publication | Bookwala, Mustafa; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 21.0939 ± 0.0012 Å |
| b | 9.252 ± 0.0006 Å |
| c | 15.0283 ± 0.001 Å |
| α | 90° |
| β | 116.211 ± 0.004° |
| γ | 90° |
| Cell volume | 2631.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274427 (current) | 2022-04-08 | cif/ hkl/ Adding structures of 2244070 via cif-deposit CGI script. |
2244070.cif 2244070.hkl |
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