Information card for entry 2012828

Structure parameters

• Common name: 3-amino-1,2,4-triazine
• Chemical name: 3-amino-1,2,4-triazine
• Formula: C3 H4 N4
• Calculated formula: C3 H4 N4
• SMILES: n1nc(ncc1)N
• Title of publication: 3-Amino-1,2,4-triazine
• Authors of publication: Perpétuo, Genivaldo Julio; Janczak, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o431 - o432
• a: 5.225 ± 0.001 Å
• b: 6.166 ± 0.001 Å
• c: 7.079 ± 0.001 Å
• α: 84.03 ± 0.03°
• β: 76.88 ± 0.03°
• γ: 77.81 ± 0.03°
• Cell volume: 216.73 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes