Information card for entry 2235798

Structure parameters

• Chemical name: 2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: O=N(=O)c1c(/N=C/c2c(O)cccc2)ccc(OC)c1
• Title of publication: 2-[(4-Methoxy-2-nitrophenyl)iminomethyl]phenol
• Authors of publication: Khalaji, Aliakbar Dehno; Nikookar, Mahsa; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2445 - o2446
• a: 16.8655 ± 0.0002 Å
• b: 21.0838 ± 0.0005 Å
• c: 7.0741 ± 0.0005 Å
• α: 90°
• β: 90.817 ± 0.002°
• γ: 90°
• Cell volume: 2515.22 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes