Information card for entry 2228762

Structure parameters

• Chemical name: 2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile
• Formula: C20 H14 F N3
• Calculated formula: C20 H14 F1.01 N3
• Title of publication: 2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile
• Authors of publication: Wang, Wei; Tang, Shi-gui; Guo, Cheng; Luan, Chang-jun; Du, Ren-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o96
• a: 6.969 ± 0.0014 Å
• b: 12.716 ± 0.003 Å
• c: 17.379 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes