Information card for entry 2224507

Structure parameters

• Chemical name: 1-(3-Chlorobenzyloxy)urea
• Formula: C8 H9 Cl N2 O2
• Calculated formula: C8 H9 Cl N2 O2
• SMILES: NC(=O)NOCc1cccc(c1)Cl
• Title of publication: 1-(3-Chlorobenzyloxy)urea
• Authors of publication: Mai, Xi; Xia, Hong-Ying; Cao, Yu-Sheng; Tong, Wei; Tu, Guo-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2983
• a: 10.83 ± 0.001 Å
• b: 13.941 ± 0.0014 Å
• c: 14.275 ± 0.0015 Å
• α: 69.672 ± 0.001°
• β: 75.828 ± 0.002°
• γ: 70.388 ± 0.001°
• Cell volume: 1883.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes