Information card for entry 2212620

Structure parameters

• Chemical name: 3-Acetyl-4-aminoquinoline
• Formula: C11 H10 N2 O
• Calculated formula: C11 H10 N2 O
• SMILES: n1cc(c(c2ccccc12)N)C(=O)C
• Title of publication: 3-Acetyl-4-aminoquinoline
• Authors of publication: Lokaj, Jan; Kettmann, Viktor; Černuchová, Petra; Milata, Viktor; Fronc, Marek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1164 - o1166
• a: 30.815 ± 0.006 Å
• b: 8.884 ± 0.002 Å
• c: 13.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3642.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes