Information card for entry 2221626

Structure parameters

• Chemical name: 4-[(<i>E</i>)-4-Methoxybenzylideneamino]-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Formula: C22 H26 N4 O S
• Calculated formula: C22 H26 N4 O S
• Title of publication: 4-[(<i>E</i>)-4-Methoxybenzylideneamino]-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1149 - o1150
• a: 7.9446 ± 0.0001 Å
• b: 11.1392 ± 0.0002 Å
• c: 12.3797 ± 0.0002 Å
• α: 77.769 ± 0.001°
• β: 79.025 ± 0.001°
• γ: 80.063 ± 0.001°
• Cell volume: 1041.08 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0505
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes