Information card for entry 8102491

Structure parameters

• Chemical name: 1-(benzyloxy)urea
• Formula: C8 H10 N2 O2
• Calculated formula: C8 H10 N2 O2
• SMILES: C(c1ccccc1)ONC(=O)N
• Title of publication: Crystal structure of 1-(benzyloxy)urea, C8H10N2O2
• Authors of publication: Xi Mai; Hong-Ying Xia; Yu-Sheng Cao; Xiao-San Lu; Yi-Jing Liao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 547
• a: 12.456 ± 0.003 Å
• b: 5.0081 ± 0.0013 Å
• c: 13.681 ± 0.004 Å
• α: 90°
• β: 96.017 ± 0.004°
• γ: 90°
• Cell volume: 848.7 ± 0.4 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 all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No