Information card for entry 4036718

Structure parameters

• Formula: C8 H16 N6
• Calculated formula: C8 H16 N6
• SMILES: N(C)c1nc(N(C)C)nc(n1)N(C)C
• 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: 14.8994 ± 0.0009 Å
• b: 10.3474 ± 0.0007 Å
• c: 28.42 ± 0.002 Å
• α: 90°
• β: 90.814 ± 0.002°
• γ: 90°
• Cell volume: 4381.1 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• 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: 0.0705
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No