Information card for entry 2019984

Structure parameters

• Common name: Benzil dihydrazone-N,N'-bis(2-chloro-1-formylbenzene)
• Chemical name: 1-(2-Chlorobenzylidene)-2-{2-[2-(2-chlorobenzylidene)hydrazin-1-ylidene]-1,2-diphenylethylidene}hydrazine
• Formula: C28 H20 Cl2 N4
• Calculated formula: C28 H20 Cl2 N4
• SMILES: c1ccccc1C(C(c1ccccc1)=NN=Cc1c(cccc1)Cl)=NN=Cc1c(cccc1)Cl
• Title of publication: Experimental and theoretical studies of the products of addition‒elimination reactions between benzil dihydrazone and three isomeric chlorobenzaldehydes
• Authors of publication: Liu, Yun-Na; Cheng, Shuang-Shuang; Wang, Chao; Xing, Dian-Xiang; Liu, Yun; Tan, Xue-Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 9.271 ± 0.003 Å
• b: 15.786 ± 0.005 Å
• c: 17.035 ± 0.006 Å
• α: 90°
• β: 95.322 ± 0.005°
• γ: 90°
• Cell volume: 2482.4 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes