Information card for entry 2229688

Structure parameters

• Chemical name: 8-Nitroquinoline
• Formula: C9 H6 N2 O2
• Calculated formula: C9 H6 N2 O2
• SMILES: c12c(N(=O)=O)cccc2cccn1
• Title of publication: 8-Nitroquinoline
• Authors of publication: Xu, Liang; Xu, Bao-Li; Lu, Shu-Jun; Wang, Bing; Kang, Ting-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o957
• a: 7.2421 ± 0.0011 Å
• b: 16.688 ± 0.003 Å
• c: 7.2089 ± 0.0011 Å
• α: 90°
• β: 114.086 ± 0.004°
• γ: 90°
• Cell volume: 795.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes