Information card for entry 2022179

Structure parameters

• Chemical name: (<i>E</i>)-4,4'-(Ethene-1,2-diyl)bis[(<i>N</i>'<i>E</i>)-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide] dimethyl sulfoxide disolvate
• Formula: C34 H36 N4 O6 S2
• Calculated formula: C34 H36 N4 O6 S2
• SMILES: c1(/C=N/NC(=O)c2ccc(cc2)/C=C/c2ccc(C(=O)N/N=C/c3c(cccc3)O)cc2)c(O)cccc1.CS(C)=O.CS(C)=O
• Title of publication: Solvent-assisted planar structure of a stilbene-based salicylhydrazone compound: crystal structure, solvent- and aggregation-induced emission, and switchable luminescence colouration
• Authors of publication: Fang, Zong-Bin; Zhang, Bin; Yang, Qi-Zheng; Zheng, Wenxu; Hu, Xiao-Lin; Huang, Xi-He; Huang, Chang-Cang; Zhuang, Nai-Feng; Wu, Shu-Ting
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• a: 4.7581 ± 0.0006 Å
• b: 18.599 ± 0.002 Å
• c: 18.266 ± 0.002 Å
• α: 90°
• β: 92.409 ± 0.005°
• γ: 90°
• Cell volume: 1615 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No