Information card for entry 2016242

Structure parameters

• Chemical name: 2-(1-chloro-2-methylpropenyl)-8-nitroquinoline
• Formula: C13 H11 Cl N2 O2
• Calculated formula: C13 H11 Cl N2 O2
• SMILES: n1c(ccc2cccc(c12)N(=O)=O)C(=C(C)C)Cl
• Title of publication: Quinoline derivatives: potential antiparasitic and antiviral agents
• Authors of publication: Sopková-de Oliveira Santos, Jana; Verhaeghe, Pierre; Lohier, Jean-François; Rathelot, Pascal; Vanelle, Patrice; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o643 - o645
• a: 8.6278 ± 0.0002 Å
• b: 6.6525 ± 0.0002 Å
• c: 11.3284 ± 0.0003 Å
• α: 90°
• β: 111.658 ± 0.001°
• γ: 90°
• Cell volume: 604.31 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes