Information card for entry 2220120

Structure parameters

• Chemical name: 2-Nitro-<i>N</i>-(8-quinolyl)benzamide
• Formula: C16 H11 N3 O3
• Calculated formula: C16 H11 N3 O3
• SMILES: O=C(Nc1cccc2cccnc12)c1c(N(=O)=O)cccc1
• Title of publication: 2-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: o2392
• a: 12.43 ± 0.003 Å
• b: 10.144 ± 0.003 Å
• c: 11.528 ± 0.003 Å
• α: 90°
• β: 116.449 ± 0.003°
• γ: 90°
• Cell volume: 1301.4 ± 0.6 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: 0.0574
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes