Information card for entry 2311197

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}phenyl)methanimine
• Formula: C20 H18 N4 O3
• Calculated formula: C20 H18 N4 O3
• SMILES: O1c2cc(/N=C/c3ccc(OCc4nnn(c4)CC=C)cc3)ccc2OC1
• Title of publication: (E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}phen-yl)methanimine.
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 10
• Pages of publication: o1576
• a: 5.1506 ± 0.0006 Å
• b: 15.334 ± 0.002 Å
• c: 22.965 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1813.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No