Information card for entry 2226970

Structure parameters

• Formula: C11 H16 N2 O4
• Calculated formula: C11 H16 N2 O4
• SMILES: c1(c(ccc(c1)OC)OC)NC(=O)NCCO
• Title of publication: 1-(2,5-Dimethoxyphenyl)-3-(2-hydroxyethyl)urea
• Authors of publication: Choi, Hyeong; Lee, Taewoo; 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: 8
• Pages of publication: o2088 - o2089
• a: 10.8571 ± 0.0009 Å
• b: 11.5559 ± 0.001 Å
• c: 9.9337 ± 0.0008 Å
• α: 90°
• β: 109.514 ± 0.004°
• γ: 90°
• Cell volume: 1174.73 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes