Information card for entry 2210371

Structure parameters

• Chemical name: 4-Methoxy-N-[3-(2-nitrophenyl)allylidene]aniline
• Formula: C16 H14 N2 O3
• Calculated formula: C16 H14 N2 O3
• SMILES: O=N(=O)c1c(/C=C/C=N/c2ccc(OC)cc2)cccc1
• Title of publication: 4-Methoxy-<i>N</i>-[3-(2-nitrophenyl)allylidene]aniline
• Authors of publication: Xiao-Yan Yang; Ying Li; Xiao-Lian He; Sai Bi; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4070 - o4071
• a: 7.4308 ± 0.0015 Å
• b: 7.8556 ± 0.0016 Å
• c: 24.569 ± 0.005 Å
• α: 90°
• β: 100.322 ± 0.006°
• γ: 90°
• Cell volume: 1411 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1006
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes