Information card for entry 2223425

Structure parameters

• Chemical name: 7-Chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,6-dihydro- 1<i>H</i>-pyrazolo[4,3-<i>d</i>]pyrimidine
• Formula: C17 H21 Cl N4 O
• Calculated formula: C17 H21 Cl N4 O
• SMILES: Clc1[nH]c(nc2c1N(NC=2CCC)C)c1c(OCC)cccc1
• Title of publication: 7-Chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,6-dihydro-1<i>H</i>-pyrazolo[4,3-<i>d</i>]pyrimidine
• Authors of publication: Zhou, Ming-Qiu; Zhu, Kai; Lv, Xiao-Ping; Han, Ping-Fang; Wei, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2318
• a: 4.67 ± 0.0009 Å
• b: 11.647 ± 0.002 Å
• c: 16.064 ± 0.003 Å
• α: 78.56 ± 0.03°
• β: 86.75 ± 0.03°
• γ: 79.81 ± 0.03°
• Cell volume: 842.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes