Information card for entry 2240721

Structure parameters

• Chemical name: (<i>E</i>)-(Anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine
• Formula: C21 H22 N2 O
• Calculated formula: C21 H22 N2 O
• SMILES: O1CCN(CC1)CC/N=C/c1c2ccccc2cc2ccccc12
• Title of publication: Crystal structure of (<i>E</i>)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1045 - o1046
• a: 6.0451 ± 0.0003 Å
• b: 17.8151 ± 0.001 Å
• c: 16.8627 ± 0.0008 Å
• α: 90°
• β: 99.69 ± 0.004°
• γ: 90°
• Cell volume: 1790.1 ± 0.16 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: 0.1916
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes