Information card for entry 2220013

Structure parameters

• Chemical name: 3,4-Dimethoxy-<i>N</i>-(4-nitrobenzylidene)aniline
• Formula: C15 H14 N2 O4
• Calculated formula: C15 H14 N2 O4
• SMILES: O(c1ccc(/N=C/c2ccc(N(=O)=O)cc2)cc1OC)C
• Title of publication: 3,4-Dimethoxy-<i>N</i>-(4-nitrobenzylidene)aniline
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Aye, Malihe; Gençaslan, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2087
• a: 7.9536 ± 0.0004 Å
• b: 8.2258 ± 0.0003 Å
• c: 21.3418 ± 0.001 Å
• α: 90°
• β: 96.125 ± 0.004°
• γ: 90°
• Cell volume: 1388.31 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes