Information card for entry 2206671

Structure parameters

• Chemical name: (-)-1-Benzyl-4-[1(S)-phenylethylamino]-5,6-dihydropyridin-2(1H)-one
• Formula: C20 H22 N2 O
• Calculated formula: C20 H22 N2 O
• SMILES: N1(C(=O)C=C(CC1)N[C@@H](C)c1ccccc1)Cc1ccccc1
• Title of publication: (‒)-1-Benzyl-4-[1(<i>S</i>)-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one
• Authors of publication: Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2924 - o2926
• a: 6.0091 ± 0.0007 Å
• b: 6.4829 ± 0.0008 Å
• c: 12.203 ± 0.0015 Å
• α: 81.136 ± 0.01°
• β: 80.67 ± 0.01°
• γ: 69.04 ± 0.01°
• Cell volume: 435.67 ± 0.1 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes