Information card for entry 2229107

Structure parameters

• Chemical name: 1-Isobutyl-<i>N</i>,<i>N</i>-dimethyl-1<i>H</i>- imidazo[4,5-<i>c</i>]quinolin-4-amine
• Formula: C16 H20 N4
• Calculated formula: C16 H20 N4
• SMILES: n1c(N(C)C)c2ncn(c2c2c1cccc2)CC(C)C
• Title of publication: 1-Isobutyl-<i>N</i>,<i>N</i>-dimethyl-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-amine
• Authors of publication: Loh, Wan-Sin; Fun, Hoong-Kun; Kayarmar, Reshma; Viveka, S.; Nagaraja, G. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o405
• a: 9.2804 ± 0.0002 Å
• b: 18.5492 ± 0.0006 Å
• c: 8.5147 ± 0.0002 Å
• α: 90°
• β: 101.051 ± 0.002°
• γ: 90°
• Cell volume: 1438.57 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes