Information card for entry 2312663

Structure parameters

• Common name: 2,4,6-Triaminopyrimidin-1-ium <i>N</i>-phenylanthranilate
• Chemical name: 2,4,6-Triaminopyrimidin-1-ium 2-(phenylamino)benzoate
• Formula: C17 H18 N6 O2
• Calculated formula: C17 H18 N6 O2
• 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: 13.1498 ± 0.0008 Å
• b: 12.1582 ± 0.0006 Å
• c: 20.6224 ± 0.001 Å
• α: 90°
• β: 106.538 ± 0.005°
• γ: 90°
• Cell volume: 3160.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes