Information card for entry 2225969

Structure parameters

• Chemical name: <i>tert</i>-Butyl 3-amino-2-methyl-6,7-dihydro-2<i>H</i>-pyrazolo[4,3-c]pyridine-5(4<i>H</i>)- carboxylate
• Formula: C12 H20 N4 O2
• Calculated formula: C12 H20 N4 O2
• SMILES: C1Cc2c(CN1C(=O)OC(C)(C)C)c(n(C)n2)N
• Title of publication: <i>tert</i>-Butyl 3-amino-2-methyl-6,7-dihydro-2<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine-5(4<i>H</i>)-carboxylate
• Authors of publication: Guo, Xin; Bai, Xiao Guang; Li, Yi Liang; Wang, Yu Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1108
• a: 6.3151 ± 0.0013 Å
• b: 9.3615 ± 0.0019 Å
• c: 11.215 ± 0.002 Å
• α: 85.837 ± 0.004°
• β: 86.794 ± 0.004°
• γ: 87.733 ± 0.004°
• Cell volume: 659.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes