Information card for entry 2217271

Structure parameters

• Chemical name: 2,4-Diamino-6-methyl-1,3,5-triazine methanol solvate
• Formula: C5 H11 N5 O
• Calculated formula: C5 H11 N5 O
• SMILES: n1c(N)nc(N)nc1C.OC
• Title of publication: 2,4-Diamino-6-methyl-1,3,5-triazine methanol solvate
• Authors of publication: Kaczmarek, Małgorzata; Radecka-Paryzek, Wanda; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o269 - o269
• a: 21.024 ± 0.005 Å
• b: 5.4726 ± 0.001 Å
• c: 14.198 ± 0.003 Å
• α: 90°
• β: 95.66 ± 0.02°
• γ: 90°
• Cell volume: 1625.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes