Information card for entry 2221241

Structure parameters

• Common name: 4-aminopyridinium oxalate
• Chemical name: Bis(4-aminopyridinium) bis(hydrogen oxalate) monohydrate
• Formula: C7 H9 N2 O4.5
• Calculated formula: C7 H9 N2 O4.5
• SMILES: O.c1cc(cc[nH+]1)N.C(=O)(C(=O)[O-])O
• Title of publication: Bis(4-aminopyridinium) bis(hydrogen oxalate) monohydrate
• Authors of publication: Fun, Hoong-Kun; John, Jain; Jebas, Samuel Robinson; Balasubramanian, T
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o748 - o749
• a: 15.6429 ± 0.0006 Å
• b: 5.6929 ± 0.0002 Å
• c: 19.9091 ± 0.0007 Å
• α: 90°
• β: 105.617 ± 0.002°
• γ: 90°
• Cell volume: 1707.52 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes