Information card for entry 2208608

Structure parameters

• Common name: (4-methoxyphenyl)thiourea
• Chemical name: 1,3-Bis(4-methoxyphenyl)thiourea
• Formula: C15 H16 N2 O2 S
• Calculated formula: C15 H16 N2 O2 S
• SMILES: C(=S)(Nc1ccc(cc1)OC)Nc1ccc(cc1)OC
• Title of publication: 1,3-Bis(4-methoxyphenyl)thiourea
• Authors of publication: Shashidhar; Vijay Thiruvenkatam; S. A. Shivashankar; M. B. Halli; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1518 - o1519
• a: 8.427 ± 0.005 Å
• b: 31.628 ± 0.019 Å
• c: 5.292 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1410.5 ± 1.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No