Information card for entry 7202982

Structure parameters

• Common name: 8-nitroquinoline-1-oxide
• Chemical name: 8-nitroquinoline-1-oxide
• Formula: C9 H6 N2 O3
• Calculated formula: C9 H6 N2 O3
• SMILES: n1(=O)c2c(ccc1)cccc2N(=O)=O
• Title of publication: A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides
• Authors of publication: O'Leary, Jane; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 941
• a: 7.8557 ± 0.0006 Å
• b: 8.813 ± 0.0006 Å
• c: 11.4793 ± 0.001 Å
• α: 90°
• β: 93.78 ± 0.004°
• γ: 90°
• Cell volume: 793.01 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No