Information card for entry 2224591

Structure parameters

• Chemical name: (<i>E</i>)-4-(2-Chlorobenzylideneamino)-3-(2-chlorophenyl)-1<i>H</i>-1,2,4- triazole-5(4<i>H</i>)-thione‒(<i>E</i>)-1,5-bis(2- chlorobenzylidene)thiocarbonohydrazide‒methanol (1/1/1)
• Formula: C32 H28 Cl4 N8 O S2
• Calculated formula: C32 H28 Cl4 N8 O S2
• SMILES: S=C(N/N=C/c1c(Cl)cccc1)NN=Cc1c(Cl)cccc1.S=C1NN=C(N1/N=C/c1c(Cl)cccc1)c1c(Cl)cccc1.OCC
• Title of publication: (<i>E</i>)-4-(2-Chlorobenzylideneamino)-3-(2-chlorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione‒(<i>E</i>)-1,5-bis(2-chlorobenzylidene)thiocarbonohydrazide‒methanol (1/1/1)
• Authors of publication: Guo, Qingliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o141
• a: 7.7086 ± 0.0006 Å
• b: 10.9999 ± 0.0009 Å
• c: 20.9827 ± 0.0016 Å
• α: 94.678 ± 0.001°
• β: 92.083 ± 0.001°
• γ: 99.851 ± 0.001°
• Cell volume: 1744.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes