Information card for entry 2232068

Structure parameters

• Chemical name: 1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea
• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• SMILES: c1(ccccc1)[C@H](O)CNC(=O)Nc1ccc(cc1)OC
• Title of publication: 1-(2-Hydroxy-2-phenylethyl)-3-(4-methoxyphenyl)urea
• Authors of publication: Choi, Hyeong; Shim, Yong Suk; Lee, Sung Chun; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2632
• a: 6.812 ± 0.0006 Å
• b: 8.7659 ± 0.0007 Å
• c: 12.1393 ± 0.001 Å
• α: 90°
• β: 97.009 ± 0.003°
• γ: 90°
• Cell volume: 719.46 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes