Information card for entry 2235559

Structure parameters

• Chemical name: 3-Acetyl-1-(4-methylphenyl)thiourea
• Formula: C10 H12 N2 O S
• Calculated formula: C10 H12 N2 O S
• Title of publication: 3-Acetyl-1-(4-methylphenyl)thiourea
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Kumar, Sharatha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2128
• a: 9.1623 ± 0.0008 Å
• b: 10.13 ± 0.001 Å
• c: 13.446 ± 0.001 Å
• α: 73.212 ± 0.009°
• β: 70.276 ± 0.008°
• γ: 66.772 ± 0.008°
• Cell volume: 1061.9 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes