Information card for entry 8107098

Structure parameters

• Formula: C11 H16 N2 O
• Calculated formula: C11 H16 N2 O
• Title of publication: Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Alshammari, Mohammed B.; Alotaibi, Mohammad Hayal; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1065 - 1066
• a: 10.7388 ± 0.0006 Å
• b: 9.8449 ± 0.0005 Å
• c: 21.1259 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2233.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No