Information card for entry 2206524

Structure parameters

• Chemical name: 1-(2-Methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine
• Formula: C14 H16 N4
• Calculated formula: C14 H16 N4
• SMILES: n1c2c(N)nc3c(c2n(CC(C)C)c1)cccc3
• Title of publication: 1-(2-Methylpropyl)-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-amine
• Authors of publication: Jing Cheng; Zuming liu; Guangfu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2638 - o2639
• a: 8.1306 ± 0.0009 Å
• b: 9.7446 ± 0.0011 Å
• c: 15.7357 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes