Information card for entry 2021927

Structure parameters

• Common name: Benzil dihydrazone-N,N'-bis(1-methyl-3-formylindole) acetonitrile solvate
• Chemical name: (1<i>Z</i>,2<i>Z</i>)-1,2-Bis{(<i>E</i>)-[(1-methyl-1<i>H</i>-indol-3-yl)\ methylidene]hydrazinylidene}-1,2-diphenylethane acetonitrile hemisolvate
• Formula: C70 H59 N13
• Calculated formula: C70 H59 N13
• 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: 11.271 ± 0.0006 Å
• b: 11.6944 ± 0.0007 Å
• c: 12.5164 ± 0.0006 Å
• α: 79.875 ± 0.004°
• β: 87.701 ± 0.004°
• γ: 64.941 ± 0.006°
• Cell volume: 1470.1 ± 0.16 ų
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes