Information card for entry 2220394

Structure parameters

• Chemical name: <i>N</i>-(3-Nitrobenzylidene)aniline
• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: N(=C\c1cc(N(=O)=O)ccc1)/c1ccccc1
• Title of publication: <i>N</i>-(3-Nitrobenzylidene)aniline
• Authors of publication: Zaheer, Muhammad; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2381 - o2382
• a: 7.3177 ± 0.0006 Å
• b: 12.1022 ± 0.0011 Å
• c: 12.4672 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.1 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0931
• 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