Information card for entry 8102210

Structure parameters

• Chemical name: N-(4-nitrophenyl)quinoline-2-carboxamide
• Formula: C16 H11 N3 O3
• Calculated formula: C16 H11 N3 O3
• SMILES: O=C(Nc1ccc(N(=O)=O)cc1)c1nc2ccccc2cc1
• Title of publication: Crystal structure of N-(4-nitrophenyl)quinoline-2-carboxamide, C16H11N3O3
• Authors of publication: Lin-Hai Jing; Da-Bin Qin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 37
• a: 7.2928 ± 0.0003 Å
• b: 13.6807 ± 0.0006 Å
• c: 13.3131 ± 0.0007 Å
• α: 90°
• β: 91.349 ± 0.001°
• γ: 90°
• Cell volume: 1327.89 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No