Information card for entry 2208631

Structure parameters

• Chemical name: 3,5-Bis(salicylideneamino)-1H-1,2,4-triazole methanol solvate
• Formula: C17 H17 N5 O3
• Calculated formula: C17 H17 N5 O3
• SMILES: c1(ccccc1/C=N/c1n[nH]c(n1)/N=C/c1ccccc1O)O.CO
• Title of publication: 3,5-Bis(salicylideneamino)-1<i>H</i>-1,2,4-triazole methanol solvate
• Authors of publication: Cheng, Ru-Mei; Li, Yi-Zhi; Ou, Sheng-Ju; Chen, Xue-Tai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1424 - o1425
• a: 5.8562 ± 0.0007 Å
• b: 9.1651 ± 0.0012 Å
• c: 31.907 ± 0.004 Å
• α: 90°
• β: 90.332 ± 0.003°
• γ: 90°
• Cell volume: 1712.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes