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Information card for entry 2241972
Preview
| Coordinates | 2241972.cif |
|---|---|
| Structure factors | 2241972.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2-Bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole |
|---|---|
| Formula | C16 H10 Br Cl2 N O |
| Calculated formula | C16 H10 Br Cl2 N O |
| Title of publication | Synthesis and structure of 1-(2-bromophenyl)-2-chloro-3-(2-chloracetyl)-1<i>H</i>-indole |
| Authors of publication | Zhang, Ting-ting; Wang, Bing; Lu, Qing; Zhao, Jun-fang; Lei, Hong; Fang, Qi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1867 - 1871 |
| a | 10.2155 ± 0.001 Å |
| b | 11.3645 ± 0.0011 Å |
| c | 13.5252 ± 0.0013 Å |
| α | 90° |
| β | 101.141 ± 0.002° |
| γ | 90° |
| Cell volume | 1540.6 ± 0.3 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188963 (current) | 2016-12-06 | cif/ hkl/ Adding structures of 2241972 via cif-deposit CGI script. |
2241972.cif 2241972.hkl |
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