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Information card for entry 2021931
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| Coordinates | 2021931.cif |
|---|---|
| Structure factors | 2021931.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-{(<i>E</i>)-[(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]hydrazinylidene}-1,2-diphenylethanone |
|---|---|
| Formula | C24 H19 N3 O |
| Calculated formula | C24 H19 N3 O |
| SMILES | C(c1ccccc1)(/C(=O)c1ccccc1)=N/N=C/c1c2ccccc2n(c1)C |
| Title of publication | Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil |
| Authors of publication | Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 44 - 63 |
| a | 18.6779 ± 0.0006 Å |
| b | 8.6694 ± 0.0003 Å |
| c | 12.7956 ± 0.0004 Å |
| α | 90° |
| β | 106.91 ± 0.004° |
| γ | 90° |
| Cell volume | 1982.36 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246406 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2021925, 2021926, 2021927, 2021928, 2021929, 2021930, 2021931, 2021932 via cif-deposit CGI script. |
2021931.cif 2021931.hkl |
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Users of the data should acknowledge the original authors of the
structural data.