Information card for entry 2235329

Structure parameters

• Chemical name: <i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide
• Formula: C19 H13 N3 O
• Calculated formula: C19 H13 N3 O
• SMILES: O=C(Nc1cccc2cccnc12)c1nc2ccccc2cc1
• Title of publication: <i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide
• Authors of publication: Li, Yanfeng; Zhou, Hongbo; Shen, Xiaoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1688
• a: 6.3651 ± 0.0013 Å
• b: 11.475 ± 0.002 Å
• c: 19.861 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes