Information card for entry 2201734

Structure parameters

• Chemical name: N-(4-methoxylphenyl)quinoline-2-carboxamide
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: O=C(Nc1ccc(OC)cc1)c1nc2c(cc1)cccc2
• Title of publication: <i>N</i>-(4-Methoxyphenyl)quinoline-2-carboxamide
• Authors of publication: Qi, Jian Ying; Qiu, Li Qin; Yang, Qi Yun; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o102 - o103
• a: 6.6372 ± 0.0011 Å
• b: 18.109 ± 0.003 Å
• c: 11.4921 ± 0.0019 Å
• α: 90°
• β: 92.867 ± 0.003°
• γ: 90°
• Cell volume: 1379.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes