Information card for entry 2242282

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine
• Formula: C25 H20 N2
• Calculated formula: C25 H20 N2
• SMILES: N(=C\c1c2c(cc3c1cccc3)cccc2)/CCc1c2ccccc2[nH]c1
• Title of publication: Crystal structure and DFT study of (<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine
• Authors of publication: Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, Sergey; Sliva, Tetyana Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1329 - 1332
• a: 6.0044 ± 0.0003 Å
• b: 16.4721 ± 0.0007 Å
• c: 17.8957 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.98 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes