Information card for entry 2210912

Structure parameters

• Chemical name: 4-Benzylidene-2-(isopropylamino)-1-phenyl-imidazolin-5(4H)-one ?
• Formula: C19 H19 N3 O
• Calculated formula: C19 H19 N3 O
• SMILES: c1ccccc1N1C(=O)/C(=C/c2ccccc2)N=C1NC(C)C
• Title of publication: 4-Benzylidene-2-(isopropylamino)-1-phenylimidazolin-5(4<i>H</i>)-one
• Authors of publication: Shao-Fa Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5130 - o5131
• a: 12.1186 ± 0.0015 Å
• b: 10.8172 ± 0.0013 Å
• c: 12.8606 ± 0.0016 Å
• α: 90°
• β: 94.88 ± 0.002°
• γ: 90°
• Cell volume: 1679.8 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes