Information card for entry 2021926

Structure parameters

• 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 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: 0.0515
• 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