Information card for entry 8106526

Structure parameters

• Formula: C10 H14 N2 O
• Calculated formula: C10 H14 N2 O
• SMILES: c1(ccc(cc1)C)NC(=O)N(C)C
• Title of publication: Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C10H14N2O
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 329 - 330
• a: 6.8354 ± 0.0009 Å
• b: 13.8221 ± 0.0017 Å
• c: 10.2905 ± 0.0012 Å
• α: 90°
• β: 90.625 ± 0.011°
• γ: 90°
• Cell volume: 972.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No