Information card for entry 2220124

Structure parameters

• Chemical name: 4-Nitro-<i>N</i>-(8-quinolyl)benzamide
• Formula: C16 H11 N3 O3
• Calculated formula: C16 H11 N3 O3
• SMILES: O=C(Nc1cccc2cccnc12)c1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitro-<i>N</i>-(8-quinolyl)benzamide
• Authors of publication: Lei, Gang; Jing, Lin-Hai; Zhou, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2401
• a: 7.523 ± 0.0015 Å
• b: 25.031 ± 0.005 Å
• c: 6.9596 ± 0.0015 Å
• α: 90°
• β: 100.081 ± 0.003°
• γ: 90°
• Cell volume: 1290.3 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes