Information card for entry 2234197

Structure parameters

• Chemical name: 1,3-Bis(1-phenylethyl)imidazolidine-2-thione
• Formula: C19 H22 N2 S
• Calculated formula: C19 H22 N2 S
• SMILES: C[C@H](N1CCN(C1=S)[C@H](c1ccccc1)C)c1ccccc1
• Title of publication: 1,3-Bis(1-phenylethyl)imidazolidine-2-thione
• Authors of publication: Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Khan, Imran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1188
• a: 5.8692 ± 0.0005 Å
• b: 5.8692 ± 0.0005 Å
• c: 50.637 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes