Information card for entry 2005729

Structure parameters

• Common name: 1,1,3,3-tetramethylurea
• Formula: C5 H12 N2 O
• Calculated formula: C5 H12 N2 O
• SMILES: CN(C(=O)N(C)C)C
• Title of publication: 1,1,3,3-Tetramethylurea
• Authors of publication: Frampton, C. S.; Parkes, K. E. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3246 - 3248
• a: 10.6297 ± 0.001 Å
• b: 6.2597 ± 0.0004 Å
• c: 9.9677 ± 0.0007 Å
• α: 90°
• β: 93.034 ± 0.007°
• γ: 90°
• Cell volume: 662.31 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No