Information card for entry 2215254

Structure parameters

• Chemical name: N-(p-Tolyl)thioacetamide
• Formula: C9 H11 N S
• Calculated formula: C9 H11 N S
• SMILES: S=C(Nc1ccc(cc1)C)C
• Title of publication: <i>N</i>-(<i>p</i>-Tolyl)thioacetamide
• Authors of publication: Śmiszek-Lindert, Wioleta; Nowak, Maria; Kusz, Joachim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3917 - o3917
• a: 13.6695 ± 0.0009 Å
• b: 8.7917 ± 0.0005 Å
• c: 14.987 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801.11 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes