Information card for entry 2228044

Structure parameters

• Chemical name: <i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>'-[4-(2-hydroxyethyl)phenyl]urea
• Formula: C17 H20 N2 O4
• Calculated formula: C17 H20 N2 O4
• SMILES: c1(c(ccc(c1)OC)OC)NC(=O)Nc1ccc(cc1)CCO
• Title of publication: <i>N</i>-(2,5-Dimethoxyphenyl)-<i>N</i>'-[4-(2-hydroxyethyl)phenyl]urea
• Authors of publication: Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2388 - o2389
• a: 18.7551 ± 0.0018 Å
• b: 6.8095 ± 0.0006 Å
• c: 12.6881 ± 0.0012 Å
• α: 90°
• β: 98.93 ± 0.003°
• γ: 90°
• Cell volume: 1600.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes