Information card for entry 2242743

Structure parameters

• Common name: 4-dimethylaminopyridinium hydrogen oxalate 0.22 hydrate
• Chemical name: 4-(Dimethylamino)pyridinum hydrogen oxalate 0.22-hydrate,
• Formula: C9 H12.44 N2 O4.22
• Calculated formula: C9 H12.443 N2 O4.2215
• Title of publication: Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts
• Authors of publication: Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 1804 - 1807
• a: 7.5241 ± 0.0003 Å
• b: 8.2898 ± 0.0003 Å
• c: 18.7359 ± 0.0006 Å
• α: 89.738 ± 0.003°
• β: 79.626 ± 0.003°
• γ: 64.741 ± 0.004°
• Cell volume: 1036.17 ± 0.08 ų
• Cell temperature: 101.3 ± 0.8 K
• Ambient diffraction temperature: 101.3 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes