Information card for entry 2233854

Structure parameters

• Chemical name: 1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione
• Formula: C19 H34 N2 S
• Calculated formula: C19 H34 N2 S
• SMILES: C[C@H](N1CCN(C1=S)[C@H](C1CCCCC1)C)C1CCCCC1
• Title of publication: 1,3-Bis(1-cyclohexylethyl)imidazolidine-2-thione
• Authors of publication: Umar, M. Naveed; Tahir, M. Nawaz; Shoaib, Mohammad; Ali, Akbar; Ziauddin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o743
• a: 6.1008 ± 0.0003 Å
• b: 6.1008 ± 0.0003 Å
• c: 53.79 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.05 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes