Information card for entry 2215627

Structure parameters

• Chemical name: 1-(4-methylphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide ‒methanol (1/1)
• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: C1(N(C(=O)CC1)c1ccc(C)cc1)(C(=O)N)c1ccccc1.OC
• Title of publication: 1-(4-Methylphenyl)-5-oxo-2-phenylpyrrolidine-2-carboxamide‒methanol (1/1)
• Authors of publication: Tamazyan, Rafael; Ayvazyan, Armen; Martirosyan, Ashot; Harutyunyan, Gohar; Raymond Schinazi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4017 - o4017
• a: 7.9421 ± 0.0016 Å
• b: 20.761 ± 0.004 Å
• c: 10.403 ± 0.002 Å
• α: 90°
• β: 94.47 ± 0.03°
• γ: 90°
• Cell volume: 1710.1 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes