Information card for entry 2312094

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium diphenylphosphinate
• Formula: C17 H16 Cl N2 O2 P
• Calculated formula: C17 H16 Cl 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: 6.927 ± 0.005 Å
• b: 8.613 ± 0.007 Å
• c: 14.335 ± 0.011 Å
• α: 83.295 ± 0.013°
• β: 81.574 ± 0.013°
• γ: 80.251 ± 0.013°
• Cell volume: 830.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes