Information card for entry 2210670

Structure parameters

• Chemical name: 3,3'-(Pyridine-2,6-diyl)bis(4-allyl-4,5-dihydro-1H-1,2,4-triazole-5-thione)
• Formula: C15 H15 N7 S2
• Calculated formula: C15 H15 N7 S2
• SMILES: S=C1NN=C(N1CC=C)c1nc(ccc1)C1=NNC(=S)N1CC=C
• Title of publication: 3,3'-(Pyridine-2,6-diyl)bis(4-allyl-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione)
• Authors of publication: Çetin, Ahmet; Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Cansız, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4385 - o4387
• a: 10.0527 ± 0.0007 Å
• b: 10.7295 ± 0.0007 Å
• c: 16.5864 ± 0.0012 Å
• α: 73.027 ± 0.005°
• β: 88.204 ± 0.006°
• γ: 89.503 ± 0.006°
• Cell volume: 1710.3 ± 0.2 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: 0.0678
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes