Information card for entry 4036720

Structure parameters

• Formula: C5 H10 N6
• Calculated formula: C5 H10 N6
• SMILES: c1(nc(nc(n1)N)N(C)C)N
• Title of publication: N-Methylmelamines: Synthesis, Characterization, and Physical Properties.
• Authors of publication: List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 4066 - 4075
• a: 7.3976 ± 0.001 Å
• b: 7.3976 ± 0.001 Å
• c: 13.714 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 750.49 ± 0.18 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No