Information card for entry 2206131

Structure parameters

• Chemical name: (E)-4-Methoxy-2-[(4-nitrophenyl)iminomethyl]phenol
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: c1(/N=C/c2c(O)ccc(OC)c2)ccc(cc1)N(=O)=O
• Title of publication: (<i>E</i>)-4-Methoxy-2-[(4-nitrophenyl)iminomethyl]phenol
• Authors of publication: Kos̨ar, Bas̨ak; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2106 - o2108
• a: 8.9769 ± 0.0009 Å
• b: 14.3789 ± 0.0013 Å
• c: 10.0589 ± 0.001 Å
• α: 90°
• β: 101.755 ± 0.008°
• γ: 90°
• Cell volume: 1271.2 ± 0.2 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: 0.1155
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes