Information card for entry 2014949

Structure parameters

• Chemical name: 1,3-Dibenzoyl-4,5-dihydro-1H-imidazole-2(3H)-thione
• Formula: C17 H14 N2 O2 S
• Calculated formula: C17 H14 N2 O2 S
• SMILES: O=C(N1CCN(C1=S)C(=O)c1ccccc1)c1ccccc1
• Title of publication: 1,3-Dibenzoylimidazolidine-2-thione and 1,3-dibenzoyl-3,4,5,6-tetrahydropyrimidine-2(1<i>H</i>)-thione
• Authors of publication: Kazak, Canan; Yilmaz, Veysel T.; Servi, Suleyman; Koca, Murat; Heinemann, Frank W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o348 - o350
• a: 11.8543 ± 0.0008 Å
• b: 5.7221 ± 0.0002 Å
• c: 10.6312 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 721.13 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes