Information card for entry 2231501

Structure parameters

• Chemical name: 2-{(<i>E</i>)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol‒ 2-{(<i>E</i>)-[(4-methylphenyl)iminio]methyl}-4-nitrophenolate (0.60/0.40)
• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• Title of publication: 2-{(<i>E</i>)-[(4-Methylphenyl)imino]methyl}-4-nitrophenol‒2-{(<i>E</i>)-[(4-methylphenyl)iminio]methyl}-4-nitrophenolate (0.60/0.40)
• Authors of publication: Tahir, M. Nawaz; Shad, Hazoor Ahmad; Tariq, Riaz H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2319
• a: 14.0623 ± 0.0006 Å
• b: 14.1723 ± 0.0008 Å
• c: 6.2357 ± 0.0003 Å
• α: 90°
• β: 95.4 ± 0.002°
• γ: 90°
• Cell volume: 1237.23 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes