Information card for entry 2016496

Structure parameters

• Common name: 4-(phenylazo)anilinium hydrogen 3-nitrophthalate
• Chemical name: 4-(phenyldiazenyl)anilinium 2-carboxy-6-nitrobenzoate
• Formula: C20 H16 N4 O6
• Calculated formula: C20 H16 N4 O6
• Title of publication: The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o123 - o127
• a: 17.873 ± 0.002 Å
• b: 7.9729 ± 0.001 Å
• c: 13.3054 ± 0.0016 Å
• α: 90°
• β: 98.198 ± 0.002°
• γ: 90°
• Cell volume: 1876.6 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes