Information card for entry 7050281

Structure parameters

• Common name: 2,4-Diamino-6-phenyl-1,3,5-triazine
• Chemical name: 2,4-Diamino-6-phenyl-1,3,5-triazine
• Formula: C9 H9 N5
• Calculated formula: C9 H9 N5
• Title of publication: Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives
• Authors of publication: Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 20.548 ± 0.003 Å
• b: 7.194 ± 0.001 Å
• c: 24.526 ± 0.005 Å
• α: 90°
• β: 102.707 ± 0.005°
• γ: 90°
• Cell volume: 3536.7 ± 1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1916
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No