Information card for entry 2213815

Structure parameters

• Chemical name: 1-(3,5-Dimethylphenyl)-3-phenylthiourea
• Formula: C15 H16 N2 S
• Calculated formula: C15 H16 N2 S
• SMILES: S=C(Nc1cc(C)cc(C)c1)Nc1ccccc1
• Title of publication: 1-(3,5-Dimethylphenyl)-3-phenylthiourea
• Authors of publication: Fang-Fang Jian; Rui-Rui Zhuang; Hai-Lian Xiao; Pu-Su Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2825 - o2825
• a: 8.374 ± 0.0017 Å
• b: 9.187 ± 0.0018 Å
• c: 9.889 ± 0.002 Å
• α: 107.57 ± 0.03°
• β: 98.57 ± 0.03°
• γ: 94.42 ± 0.03°
• Cell volume: 711.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes