Information card for entry 2235921

Structure parameters

• Chemical name: 1,3-Dibenzylimidazolidine-2-thione
• Formula: C17 H18 N2 S
• Calculated formula: C17 H18 N2 S
• SMILES: N1(C(=S)N(CC1)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3-Dibenzylimidazolidine-2-thione
• Authors of publication: Mietlarek-Kropidłowska, Anna; Chojnacki, Jaroslaw; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2521
• a: 14.8492 ± 0.0008 Å
• b: 10.2284 ± 0.0005 Å
• c: 10.1314 ± 0.0006 Å
• α: 90°
• β: 107.131 ± 0.006°
• γ: 90°
• Cell volume: 1470.52 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes