Information card for entry 2220508

Structure parameters

• Chemical name: 1-(3-Chlorophenyl)-3-(1-<i>p</i>-tolylimidazolidin-2-ylidene)urea
• Formula: C17 H17 Cl N4 O
• Calculated formula: C17 H17 Cl N4 O
• SMILES: N1(/C(=N/C(=O)Nc2cc(ccc2)Cl)NCC1)c1ccc(cc1)C
• Title of publication: 1-(3-Chlorophenyl)-3-(1-<i>p</i>-tolylimidazolidin-2-ylidene)urea
• Authors of publication: Wysocki, Waldemar; Matosiuk, Dariusz; Karczmarzyk, Zbigniew; Fidecka, Sylwia; Fruziński, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o40
• a: 11.4506 ± 0.0008 Å
• b: 15.5097 ± 0.0017 Å
• c: 9.2811 ± 0.0011 Å
• α: 90°
• β: 100.506 ± 0.008°
• γ: 90°
• Cell volume: 1620.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes