Information card for entry 2236370

Structure parameters

• Chemical name: 3-[Bis(dimethylamino)methylene]-1,1-diphenylurea
• Formula: C18 H22 N4 O
• Calculated formula: C18 H22 N4 O
• SMILES: C(=N\C(=O)N(c1ccccc1)c1ccccc1)(N(C)C)/N(C)C
• Title of publication: 3-[Bis(dimethylamino)methylene]-1,1-diphenylurea
• Authors of publication: Tiritiris, Ioannis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3085
• a: 7.9321 ± 0.0003 Å
• b: 17.0477 ± 0.0009 Å
• c: 12.2151 ± 0.0006 Å
• α: 90°
• β: 98.583 ± 0.002°
• γ: 90°
• Cell volume: 1633.28 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes