Information card for entry 2224774

Structure parameters

• Chemical name: (E)-4-(4-Hydroxy-3-methoxybenzylideneamino)-3- [1-(4-isobutylphenyl)ethyl]-1H-1,2,4-triazole-5(4H)-thione
• Formula: C22 H26 N4 O2 S
• Calculated formula: C22 H26 N4 O2 S
• Title of publication: (<i>E</i>)-4-(4-Hydroxy-3-methoxybenzylideneamino)-3-[1-(4-isobutylphenyl)ethyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Authors of publication: Goh, Jia Hao; Fun, Hoong-Kun; Vinayaka, A. C.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o89 - o90
• a: 9.8646 ± 0.0003 Å
• b: 14.2026 ± 0.0005 Å
• c: 16.6758 ± 0.0006 Å
• α: 69.048 ± 0.002°
• β: 79.881 ± 0.002°
• γ: 85.946 ± 0.002°
• Cell volume: 2147.83 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes