Information card for entry 2019985

Structure parameters

• Common name: Benzil dihydrazone-<i>N</i>,<i>N</i>'-bis(3-chloro-1-formylbenzene)
• Chemical name: 1-(3-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(=NN=Cc1cc(ccc1)Cl)C(c1ccccc1)=NN=Cc1cc(ccc1)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: 11.619 ± 0.004 Å
• b: 23.173 ± 0.008 Å
• c: 9.165 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2467.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes