Information card for entry 4036717

Structure parameters

• Formula: C4 H8 N6
• Calculated formula: C4 H8 N6
• SMILES: n1c(nc(nc1N)NC)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: 7.2421 ± 0.0016 Å
• b: 7.249 ± 0.0016 Å
• c: 12.642 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 663.7 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.096
• 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: No