Information card for entry 2312664

Structure parameters

• Common name: 2,4,6-Triaminopyrimidin-1-ium <i>p</i>-toluenesulfonate
• Chemical name: 2,4,6-Triaminopyrimidin-1-ium 4-methylbenzene-1-sulfonate
• Formula: C11 H15 N5 O3 S
• Calculated formula: C11 H15 N5 O3 S
• 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: 11
• a: 6.8382 ± 0.0003 Å
• b: 8.3657 ± 0.0004 Å
• c: 12.5848 ± 0.0006 Å
• α: 92.727 ± 0.001°
• β: 104.992 ± 0.002°
• γ: 99.194 ± 0.001°
• Cell volume: 683.5 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes