Information card for entry 2200593

Structure parameters

• Chemical name: (R)-N-(1-Phenylethyl)quinoline-2-carboxamide
• Formula: C18 H16 N2 O
• Calculated formula: C18 H16 N2 O
• SMILES: O=C(N[C@@H](c1ccccc1)C)c1nc2c(cc1)cccc2
• Title of publication: (<i>R</i>)-<i>N</i>-(1-Phenylethyl)quinoline-2-carboxamide
• Authors of publication: Yang, Qi-Yun; Zhou, Zhong-Yuan; Qi, Jian-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o971 - o972
• a: 5.5955 ± 0.0011 Å
• b: 10.684 ± 0.002 Å
• c: 12.224 ± 0.002 Å
• α: 90°
• β: 98.687 ± 0.004°
• γ: 90°
• Cell volume: 722.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes