Information card for entry 2217423

Structure parameters

• Chemical name: 2,4-Diamino-6-methyl-1,3,5-triazine ethanol solvate
• Formula: C6 H13 N5 O
• Calculated formula: C6 H13 N5 O
• SMILES: Cc1nc(nc(n1)N)N.CCO
• Title of publication: 2,4-Diamino-6-methyl-1,3,5-triazine ethanol solvate
• Authors of publication: Zun-Hong Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o411 - o411
• a: 8.386 ± 0.0006 Å
• b: 9.1514 ± 0.0006 Å
• c: 11.9104 ± 0.0009 Å
• α: 88.703 ± 0.001°
• β: 87.614 ± 0.002°
• γ: 76.668 ± 0.002°
• Cell volume: 888.56 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes