Information card for entry 2011727

Structure parameters

• Chemical name: N-(8-quinolyl)-2-pyridinecarboxamide
• Formula: C15 H11 N3 O
• Calculated formula: C15 H11 N3 O
• SMILES: O=C(Nc1cccc2cccnc12)c1ncccc1
• Title of publication: <i>N</i>-(8-Quinolyl)pyridine-2-carboxamide
• Authors of publication: Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 109 - 110
• a: 7.677 ± 0.002 Å
• b: 7.915 ± 0.003 Å
• c: 20.408 ± 0.005 Å
• α: 90°
• β: 99.64 ± 0.02°
• γ: 90°
• Cell volume: 1222.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes