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Information card for entry 2021928
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| Coordinates | 2021928.cif |
|---|---|
| Structure factors | 2021928.hkl |
| Original IUCr paper | HTML |
| Common name | Benzil dihydrazone-N,N'-bis(1-formylnaphthalene) |
|---|---|
| Chemical name | (1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(naphthalen-1-yl)methylidene]hydrazinylidene}-1,2-diphenylethane |
| Formula | C36 H26 N4 |
| Calculated formula | C36 H26 N4 |
| SMILES | C(=N\N=C\c1c2c(ccc1)cccc2)(/C(=N/N=C/c1c2ccccc2ccc1)c1ccccc1)c1ccccc1 |
| 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 | 26.195 ± 0.008 Å |
| b | 9.809 ± 0.003 Å |
| c | 11.806 ± 0.004 Å |
| α | 90° |
| β | 115.23 ± 0.005° |
| γ | 90° |
| Cell volume | 2744.1 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1419 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| 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. |
2021928.cif 2021928.hkl |
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Users of the data should acknowledge the original authors of the
structural data.