Information card for entry 2215934

Structure parameters

• Chemical name: 3-Aminopyridinium 2-hydroxy-2,2-diphenylacetate monohydrate
• Formula: C19 H20 N2 O4
• Calculated formula: C19 H20 N2 O4
• SMILES: O=C([O-])C(O)(c1ccccc1)c1ccccc1.O.[nH+]1cc(N)ccc1
• Title of publication: 3-Aminopyridinium 2-hydroxy-2,2-diphenylacetate monohydrate
• Authors of publication: Li, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4238 - o4238
• a: 28.903 ± 0.006 Å
• b: 8.6828 ± 0.0018 Å
• c: 6.79 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes