Information card for entry 2234329

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea
• Formula: C11 H14 Cl N3 O2
• Calculated formula: C11 H14 Cl N3 O2
• SMILES: Clc1ccc(NC(=O)NN2CCOCC2)cc1
• Title of publication: 1-(4-Chlorophenyl)-3-(morpholin-4-yl)urea
• Authors of publication: Li, Yu-Feng; Jiang, Jin-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1219
• a: 13.684 ± 0.003 Å
• b: 9.3612 ± 0.0019 Å
• c: 9.758 ± 0.002 Å
• α: 90°
• β: 94.03 ± 0.03°
• γ: 90°
• Cell volume: 1246.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes