Information card for entry 2228825

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate
• Formula: C16 H18 N2 O S
• Calculated formula: C16 H18 N2 O S
• SMILES: S=C(Nc1ccccc1)Nc1ccccc1.O=C(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate
• Authors of publication: Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o55
• a: 17.1797 ± 0.0006 Å
• b: 10.0736 ± 0.0004 Å
• c: 17.47 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3023.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes