Information card for entry 2235163

Structure parameters

• Chemical name: 1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2- methylphenyl)urea
• Formula: C20 H21 N5 O
• Calculated formula: C20 H21 N5 O
• SMILES: O=C(Nc1ccccc1C)N/N=C(c1ccccc1)\CCn1ccnc1
• Title of publication: 1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropylidene]amino}-3-(2-methylphenyl)urea
• Authors of publication: Attia, Mohamed I.; Aboul-Enein, Mohamed N.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1848 - o1849
• a: 20.522 ± 0.0017 Å
• b: 14.1916 ± 0.0011 Å
• c: 6.006 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes