Information card for entry 2229279

Structure parameters

• Chemical name: <i>N</i>-(3-Chloro-4-ethoxybenzoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea
• Formula: C17 H17 Cl N2 O3 S
• Calculated formula: C17 H17 Cl N2 O3 S
• SMILES: c1(c(ccc(c1)C(=O)NC(=S)Nc1c(cccc1)OC)OCC)Cl
• Title of publication: <i>N</i>-(3-Chloro-4-ethoxybenzoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea
• Authors of publication: Hu, Jing-Han; Luo, Zhong-Yi; Ding, Chen-Fei; Song, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o376
• a: 7.8238 ± 0.0008 Å
• b: 8.4791 ± 0.0011 Å
• c: 14.9867 ± 0.0013 Å
• α: 76.365 ± 0.007°
• β: 89.384 ± 0.005°
• γ: 62.647 ± 0.004°
• Cell volume: 852.65 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes