Information card for entry 2214597

Structure parameters

• Chemical name: <i>N</i>-Phenylquinoline-2-carboxamide
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C(Nc1ccccc1)c1nc2ccccc2cc1
• Title of publication: <i>N</i>-Phenylquinoline-2-carboxamide
• Authors of publication: Lin-Hai Jing; Yi Feng; Da-Bin Qin; Huan-Xia Zhang; Shao-Jin Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3618 - o3618
• a: 16.9856 ± 0.0019 Å
• b: 12.8279 ± 0.0016 Å
• c: 5.4455 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1186.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes