Information card for entry 2227719

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>'-(4-hydroxyphenethyl)urea
• Formula: C17 H20 N2 O4
• Calculated formula: C17 H20 N2 O4
• SMILES: c1(c(ccc(c1)OC)OC)NC(=O)NCCc1ccc(cc1)O
• Title of publication: <i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>'-(4-hydroxyphenethyl)urea
• Authors of publication: Choi, Hyeong; Han, Byung Hee; Shim, Yong Suk; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2705 - o2706
• a: 10.7275 ± 0.0006 Å
• b: 9.6016 ± 0.0005 Å
• c: 16.9388 ± 0.001 Å
• α: 90°
• β: 107.838 ± 0.002°
• γ: 90°
• Cell volume: 1660.84 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes