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Information card for entry 2021926
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| Coordinates | 2021926.cif |
|---|---|
| Structure factors | 2021926.hkl |
| Original IUCr paper | HTML |
| Common name | Dihydrazone-N,N'-bis(3-acetylindole) |
|---|---|
| Chemical name | (1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinylidene}-1,2-diphenylethane |
| Formula | C34 H28 N6 |
| Calculated formula | C34 H28 N6 |
| SMILES | C(/c1ccccc1)(C(/c1ccccc1)=N\N=C(\c1c2ccccc2[nH]c1)C)=N\N=C(\c1c2ccccc2[nH]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 | 10.2585 ± 0.0004 Å |
| b | 11.961 ± 0.0005 Å |
| c | 12.8232 ± 0.0006 Å |
| α | 64.941 ± 0.004° |
| β | 79.573 ± 0.003° |
| γ | 76.829 ± 0.004° |
| Cell volume | 1381.45 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
2021926.cif 2021926.hkl |
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Users of the data should acknowledge the original authors of the
structural data.