Information card for entry 2221544

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethanol
• Formula: C11 H12 N4 O
• Calculated formula: C11 H12 N4 O
• SMILES: n1n(nc(c1)/C=N/CCO)c1ccccc1
• Title of publication: 2-[(<i>E</i>)-(2-Phenyl-2<i>H</i>-1,2,3-triazol-4-yl)methyleneamino]ethanol
• Authors of publication: Dang, Yan-Qiu; Tian, Lai-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o720
• a: 13.124 ± 0.005 Å
• b: 12.77 ± 0.005 Å
• c: 6.658 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.8 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes