Information card for entry 2224269

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridinium 2-(4-hydroxyphenyldiazenyl)benzoate
• Formula: C20 H20 N4 O3
• Calculated formula: C20 H20 N4 O3
• SMILES: O=C([O-])c1c(N=Nc2ccc(O)cc2)cccc1.[nH+]1ccc(N(C)C)cc1
• Title of publication: 4-(Dimethylamino)pyridinium 2-(4-hydroxyphenyldiazenyl)benzoate
• Authors of publication: Arman, Hadi D.; Miller, Tyler; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3226
• a: 9.24 ± 0.004 Å
• b: 10.924 ± 0.004 Å
• c: 17.598 ± 0.007 Å
• α: 90°
• β: 92.002 ± 0.008°
• γ: 90°
• Cell volume: 1775.2 ± 1.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes