Information card for entry 7050282

Structure parameters

• Common name: 2,4-diamino-6-(1-phenylpyrazol-3-yl)-1,3,5-triazine
• Chemical name: 2,4-diamino-6-(1-phenylpyrazol-3-yl)-1,3,5-triazine
• Formula: C12 H11 N7
• Calculated formula: C12 H11 N7
• 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: 12.1135 ± 0.0011 Å
• b: 12.4648 ± 0.0009 Å
• c: 16.1423 ± 0.0013 Å
• α: 90°
• β: 97.286 ± 0.009°
• γ: 90°
• Cell volume: 2417.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No