Information card for entry 2311124

Structure parameters

• Chemical name: 4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1<i>H</i>-imidazol- 5(4<i>H</i>)-one ethanol hemisolvate
• Formula: C19 H20 N3 O1.5
• Calculated formula: C19 H20 N3 O1.5
• SMILES: O=C1NC(=N/C1=C(N)\c1cc(ccc1)C)c1cc(ccc1)C.OCC
• Title of publication: 4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.
• Authors of publication: Prabhuswamy, M.; Madan Kumar, S.; Muneer, C. P.; Shafi, P. M.; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 2
• Pages of publication: o174
• a: 8.227 ± 0.004 Å
• b: 13.505 ± 0.007 Å
• c: 16.044 ± 0.008 Å
• α: 87.451 ± 0.008°
• β: 78.869 ± 0.009°
• γ: 80.241 ± 0.009°
• Cell volume: 1723.6 ± 1.5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No