Information card for entry 2312662

Structure parameters

• Common name: 2,4,6-Triaminopyrimidin-1-ium sorbate dihydrate
• Chemical name: 2,4,6-Triaminopyrimidin-1-ium 2,4-hexadienoate dihydrate
• Formula: C10 H19 N5 O4
• Calculated formula: C10 H19 N5 O4
• Title of publication: Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate.
• Authors of publication: Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 11
• Pages of publication: 728 - 733
• a: 8.2507 ± 0.0004 Å
• b: 8.587 ± 0.0004 Å
• c: 10.6398 ± 0.0005 Å
• α: 105.438 ± 0.002°
• β: 109.18 ± 0.002°
• γ: 94.887 ± 0.002°
• Cell volume: 673.83 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0585
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes