Information card for entry 2220121

Structure parameters

• Chemical name: 3-Nitro-<i>N</i>-(8-quinolyl)benzamide
• Formula: C16 H11 N3 O3
• Calculated formula: C16 H11 N3 O3
• SMILES: O=C(Nc1cccc2cccnc12)c1cc(N(=O)=O)ccc1
• Title of publication: 3-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: o2393
• a: 7.3783 ± 0.0014 Å
• b: 23.878 ± 0.005 Å
• c: 7.4371 ± 0.0014 Å
• α: 90°
• β: 90.775 ± 0.003°
• γ: 90°
• Cell volume: 1310.1 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes