Information card for entry 2015759

Structure parameters

• Chemical name: 7-Amino-2-tert-butyl-5-methylpyrazolo[1,5-a]pyrimidine
• Formula: C11 H16 N4
• Calculated formula: C11 H16 N4
• SMILES: n1c(C(C)(C)C)cc2nc(C)cc(N)n12
• Title of publication: 7-Amino-2-<i>tert</i>-butyl-5-methylpyrazolo[1,5-<i>a</i>]pyrimidine: a three-dimensional framework structure built from two N—H···N hydrogen bonds
• Authors of publication: Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o26 - o28
• a: 10.8271 ± 0.0002 Å
• b: 10.8271 ± 0.0002 Å
• c: 19.9208 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2335.24 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes