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Information card for entry 1545011
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| Coordinates | 1545011.cif |
|---|---|
| Structure factors | 1545011.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide |
|---|---|
| Formula | C12 H9 Br N2 O2 S |
| Calculated formula | C12 H9 Br N2 O2 S |
| SMILES | BrN=S(c1ccc(N(=O)=O)cc1)c1ccccc1 |
| Title of publication | <i>N</i>-Bromo-<i>S</i>-(4-nitrophenyl)-<i>S</i>-phenylsulfimide |
| Authors of publication | Sheikh, Md. Chanmiya; Yoshimura, Toshiaki; Fujii, Takayoshi; Miyatake, Ryuta |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x162033 |
| a | 9.12236 ± 0.0001 Å |
| b | 18.7734 ± 0.0003 Å |
| c | 7.70271 ± 0.0001 Å |
| α | 90° |
| β | 108.576 ± 0.001° |
| γ | 90° |
| Cell volume | 1250.42 ± 0.03 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190041 (current) | 2017-01-08 | cif/ hkl/ Adding structures of 1545011 via cif-deposit CGI script. |
1545011.cif 1545011.hkl |
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