Information card for entry 2235000

Structure parameters

• Chemical name: 1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-(4- methoxyphenyl)propylidene]amino}-3-(2-methylphenyl)urea
• Formula: C21 H23 N5 O2
• Calculated formula: C21 H23 N5 O2
• SMILES: O=C(Nc1ccccc1C)N/N=C(c1ccc(OC)cc1)\CCn1ccnc1
• Title of publication: 1-{(<i>E</i>)-[3-(1<i>H</i>-Imidazol-1-yl)-1-(4-methoxyphenyl)propylidene]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: o1799 - o1800
• a: 10.7798 ± 0.0012 Å
• b: 20.775 ± 0.0019 Å
• c: 8.7652 ± 0.0018 Å
• α: 90°
• β: 105.318 ± 0.015°
• γ: 90°
• Cell volume: 1893.2 ± 0.5 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: 0.1063
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes