Information card for entry 2212748

Structure parameters

• Chemical name: <i>N</i>-3,5-Dimethyl-[1-(4-nitrophenyl)ethylidene]aniline
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: c1(ccc(cc1)/C(=N/c1cc(cc(c1)C)C)C)N(=O)=O
• Title of publication: <i>N</i>-3,5-Dimethyl-[1-(4-nitrophenyl)ethylidene]aniline
• Authors of publication: Xiu-Ying Yang; Yu-Feng Li; Jian Zheng; Fang-Fang Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1611 - o1612
• a: 8.585 ± 0.0017 Å
• b: 7.182 ± 0.0014 Å
• c: 23.786 ± 0.005 Å
• α: 90°
• β: 96.35 ± 0.03°
• γ: 90°
• Cell volume: 1457.6 ± 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: 0.1594
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes