Information card for entry 2021929

Structure parameters

• Chemical name: (<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone
• Formula: C23 H17 N3 O
• Calculated formula: C23 H17 N3 O
• SMILES: C(c1ccccc1)(/C(=O)c1ccccc1)=N/N=C/c1c2ccccc2[nH]c1
• 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: 6.8767 ± 0.0001 Å
• b: 8.3698 ± 0.0002 Å
• c: 32.6317 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878.17 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes