Information card for entry 2215541

Structure parameters

• Chemical name: 5-(4-Fluorophenyl)-2,6-dioxo-2,3,6,7,8,9-hexahydro-1H,5H- imidazo[1,2-a]quinoline-4-carbonitrile
• Formula: C18 H14 F N3 O2
• Calculated formula: C18 H14 F N3 O2
• SMILES: Fc1ccc(C2C3=C(N4C(=C2C#N)NC(=O)C4)CCCC3=O)cc1
• Title of publication: 5-(4-Fluorophenyl)-2,6-dioxo-2,3,6,7,8,9-hexahydro-1<i>H</i>,5<i>H</i>-imidazo[1,2-<i>a</i>]quinoline-4-carbonitrile
• Authors of publication: Qiya Zhuang; Chunmei Li; Qingqing Shao; Bo Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3935 - o3935
• a: 10.781 ± 0.003 Å
• b: 14.937 ± 0.004 Å
• c: 9.839 ± 0.003 Å
• α: 90°
• β: 106.27 ± 0.005°
• γ: 90°
• Cell volume: 1521 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1168
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes