Information card for entry 2312096

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium diphenylphosphinate
• Formula: C18 H19 N2 O2 P
• Calculated formula: C18 H19 N2 O2 P
• Title of publication: Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies.
• Authors of publication: Yuan, Haokun; Zhang, Ran; Hu, Kai; Fang, Ruiqin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 193 - 203
• a: 27.998 ± 0.012 Å
• b: 10.747 ± 0.005 Å
• c: 11.362 ± 0.005 Å
• α: 90°
• β: 97.344 ± 0.008°
• γ: 90°
• Cell volume: 3391 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes