Information card for entry 2207264

Structure parameters

• Chemical name: N-(2-Methylphenyl)-N-[3-(2-nitrophenyl)prop-2-enylidene]amine
• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: O=N(=O)c1ccccc1/C=C/C=N/c1c(cccc1)C
• Title of publication: <i>N</i>-(2-Methylphenyl)-<i>N</i>-[3-(2-nitrophenyl)prop-2-enylidene]amine
• Authors of publication: Xiao-Yan Yang; Ying Li; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3634 - o3635
• a: 11.39 ± 0.003 Å
• b: 9.705 ± 0.003 Å
• c: 13.072 ± 0.004 Å
• α: 90°
• β: 106.532 ± 0.004°
• γ: 90°
• Cell volume: 1385.2 ± 0.7 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: 0.0552
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes