Information card for entry 2202577

Structure parameters

• Chemical name: 3,5-Diphenyl-4-(3,4,5-trimethoxybenzylidenamino)-4H-1,2,4-triazole
• Formula: C24 H22 N4 O3
• Calculated formula: C24 H22 N4 O3
• SMILES: c1cccc(c1)c1nnc(n1N=Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1
• Title of publication: 3,5-Diphenyl-4-(3,4,5-trimethoxybenzylideneamino)-4<i>H</i>-1,2,4-triazole
• Authors of publication: Atalay, Şehriman; Yavuz, Metin; Bekircan,Olcay; Aǧar, Ayşen; Şaşmaz, Selami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1528 - o1529
• a: 12.3359 ± 0.001 Å
• b: 12.5288 ± 0.0012 Å
• c: 13.9855 ± 0.0011 Å
• α: 90°
• β: 96.272 ± 0.006°
• γ: 90°
• Cell volume: 2148.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes