Information card for entry 2208783

Structure parameters

• Chemical name: 4,4'-Dibenzyl-5,5'-(pyridine-2,6-diyl)bis(2,4-dihydro-3H-1,2,4-triazole- 3-thione)
• Formula: C23 H19 N7 S2
• Calculated formula: C23 H19 N7 S2
• SMILES: C1(=S)N(C(c2cccc(C3=NNC(=S)N3Cc3ccccc3)n2)=NN1)Cc1ccccc1
• Title of publication: 4,4'-Dibenzyl-5,5'-(pyridine-2,6-diyl)bis(3,4-dihydro-2<i>H</i>-1,2,4-triazole-3-thione)
• Authors of publication: Demir, Sibel; Dinçer, Muharrem; Çetin, Ahmet; Dayan, Osman; Cansız, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1822 - o1823
• a: 10.6469 ± 0.0007 Å
• b: 10.8127 ± 0.0007 Å
• c: 21.9501 ± 0.0013 Å
• α: 89.5 ± 0.005°
• β: 89.496 ± 0.005°
• γ: 61.774 ± 0.005°
• Cell volume: 2226.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes