Information card for entry 8105636

Structure parameters

• Formula: C9 H6 N2 O3
• Calculated formula: C9 H6 N2 O3
• Title of publication: Crystal structure of 3-nitroquinoline 1-oxide, C9H6N2O3
• Authors of publication: Mi, Xia; Wang, Xinling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 335 - 336
• a: 8.7156 ± 0.0003 Å
• b: 9.4003 ± 0.0003 Å
• c: 19.8188 ± 0.0007 Å
• α: 90°
• β: 97.426 ± 0.003°
• γ: 90°
• Cell volume: 1610.12 ± 0.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0591
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No