Information card for entry 2021931

Structure parameters

• 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 ų
• 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