Information card for entry 2234093

Structure parameters

• Chemical name: 4-Methoxy-<i>N</i>-(4-nitrobenzyl)aniline
• Formula: C14 H14 N2 O3
• Calculated formula: C14 H14 N2 O3
• SMILES: O=N(=O)c1ccc(cc1)CNc1ccc(cc1)OC
• Title of publication: 4-Methoxy-<i>N</i>-(4-nitrobenzyl)aniline
• Authors of publication: Kapoor, Kamini; Gupta, Vivek K.; Kumar, Indresh; Mir, Nisar A.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o988
• a: 7.4993 ± 0.0003 Å
• b: 17.1516 ± 0.0007 Å
• c: 10.0048 ± 0.0005 Å
• α: 90°
• β: 96.861 ± 0.004°
• γ: 90°
• Cell volume: 1277.65 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes