Information card for entry 2221265

Structure parameters

• Chemical name: (2<i>R</i>,5<i>S</i>)-5-Benzyl-2,3-dimethyl-4-oxo-2-phenylimidazolidin-1-ium chloride
• Formula: C18 H21 Cl N2 O
• Calculated formula: C18 H21 Cl N2 O
• SMILES: [Cl-].O=C1N([C@]([NH2+][C@H]1Cc1ccccc1)(C)c1ccccc1)C
• Title of publication: (2<i>R</i>,5<i>S</i>)-5-Benzyl-2,3-dimethyl-4-oxo-2-phenylimidazolidin-1-ium chloride
• Authors of publication: Zhang, Shuai; Wang, Yifeng; Li, Bailin; Zhang, Guangcun; Luo, Shuping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o888
• a: 10.5797 ± 0.0011 Å
• b: 7.5876 ± 0.0007 Å
• c: 10.8741 ± 0.0012 Å
• α: 90°
• β: 105.516 ± 0.003°
• γ: 90°
• Cell volume: 841.1 ± 0.15 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes