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Information card for entry 2021929
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| Coordinates | 2021929.cif |
|---|---|
| Structure factors | 2021929.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone |
|---|---|
| Formula | C23 H17 N3 O |
| Calculated formula | C23 H17 N3 O |
| SMILES | C(c1ccccc1)(/C(=O)c1ccccc1)=N/N=C/c1c2ccccc2[nH]c1 |
| 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 | 6.8767 ± 0.0001 Å |
| b | 8.3698 ± 0.0002 Å |
| c | 32.6317 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1878.17 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
2021929.cif 2021929.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.