Information card for entry 2012761

Structure parameters

• Common name: N-(2-methoxyphenyl)-4-nitrophenylimine
• Chemical name: N-(2-methoxyphenyl)-4-nitrophenylimine
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: O(c1ccccc1/N=C/c1ccc(N(=O)=O)cc1)C
• Title of publication: The effect of molecular planarity on crystal non-centrosymmetry in benzylidene‒aniline derivatives
• Authors of publication: Zhang, De-Chun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o351 - o352
• a: 7.2703 ± 0.0006 Å
• b: 7.2963 ± 0.0008 Å
• c: 24.086 ± 0.003 Å
• α: 90°
• β: 94.517 ± 0.008°
• γ: 90°
• Cell volume: 1273.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.108
• 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