Information card for entry 2225611

Structure parameters

• Chemical name: 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride
• Formula: C4 H8 Cl N5
• Calculated formula: C4 H8 Cl N5
• SMILES: c1(C)nc(nc([nH+]1)N)N.[Cl-]
• Title of publication: 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride
• Authors of publication: Qian, Hui-Fen; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o759
• a: 5.6449 ± 0.0011 Å
• b: 7.8723 ± 0.0015 Å
• c: 9.3476 ± 0.0017 Å
• α: 65.551 ± 0.003°
• β: 75.779 ± 0.002°
• γ: 71.027 ± 0.002°
• Cell volume: 354.61 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes