Information card for entry 2214605

Structure parameters

• Chemical name: N-(4-Ethoxyphenyl)thiourea
• Formula: C9 H12 N2 O S
• Calculated formula: C9 H12 N2 O S
• SMILES: S=C(Nc1ccc(OCC)cc1)N
• Title of publication: <i>N</i>-(4-Ethoxyphenyl)thiourea
• Authors of publication: Yan-Fang Lin; Guang-Xiang Zhong; Feng Xu; Wei-Xiao Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3549 - o3549
• a: 14.845 ± 0.0019 Å
• b: 8.2482 ± 0.0011 Å
• c: 16.86 ± 0.002 Å
• α: 90°
• β: 97.489 ± 0.001°
• γ: 90°
• Cell volume: 2046.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes