Information card for entry 8102796

Structure parameters

• Chemical name: ethyl 2-(3-(2-fluorobenzyloxy) ureido) acetate
• Formula: C12 H15 F N2 O4
• Calculated formula: C12 H15 F N2 O4
• SMILES: Fc1c(CONC(=O)NCC(=O)OCC)cccc1
• Title of publication: Crystal structure of ethyl 2-(3-(2-fluorobenzyloxy)ureido)acetate, C12H15FN2O4
• Authors of publication: Jin-Jin Wei; Xi Mai; Hong-Ying Xia; Wei Tong; Li Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 553
• a: 16.5402 ± 0.0014 Å
• b: 4.8905 ± 0.0005 Å
• c: 16.7576 ± 0.0016 Å
• α: 90°
• β: 96.629 ± 0.001°
• γ: 90°
• Cell volume: 1346.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No