Information card for entry 2240701

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(3,4-Dimethoxybenzylidene)morpholin-4-amine
• Formula: C13 H18 N2 O3
• Calculated formula: C13 H18 N2 O3
• SMILES: O1CCN(/N=C/c2ccc(OC)c(OC)c2)CC1
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>-(3,4-dimethoxybenzylidene)morpholin-4-amine
• Authors of publication: Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o935
• a: 9.1644 ± 0.0006 Å
• b: 6.0277 ± 0.0006 Å
• c: 13.1327 ± 0.0009 Å
• α: 90°
• β: 109.989 ± 0.005°
• γ: 90°
• Cell volume: 681.75 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes