Information card for entry 7102055

Structure parameters

• Common name: 2-amino-4,6-dimethyl-triazine * 1 guanidine
• Chemical name: 2-amino-4,6-dimethyl-triazine * 1 guanidine
• Formula: C6 H13 N7
• Calculated formula: C6 H13 N7
• SMILES: C(=N)(N)N.c1(C)nc(nc(C)n1)N
• Title of publication: First structural characterization of guanidine, HN=C(NH(2))(2).
• Authors of publication: Göbel, Michael; Klapötke, Thomas M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3180 - 3182
• a: 9.9182 ± 0.0003 Å
• b: 4.8503 ± 0.0002 Å
• c: 18.8708 ± 0.0007 Å
• α: 90°
• β: 91.382 ± 0.003°
• γ: 90°
• Cell volume: 907.54 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No