Information card for entry 2239383

Structure parameters

• Chemical name: 1-Methyl-3-phenylimidazolidine-2-thione
• Formula: C10 H12 N2 S
• Calculated formula: C10 H12 N2 S
• SMILES: CN1CCN(C1=S)c1ccccc1
• Title of publication: 1-Methyl-3-phenylimidazolidine-2-thione
• Authors of publication: Nor, Nabihah Al Muna Mohd; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o334
• a: 7.5159 ± 0.0001 Å
• b: 14.0478 ± 0.0003 Å
• c: 18.205 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes