Information card for entry 2209054

Structure parameters

• Chemical name: (Z)-4-Benzylidene-1-(4-chlorophenyl)-2-propylamino-1H-imidazol-5(4H)-one
• Formula: C19 H18 Cl N3 O
• Calculated formula: C19 H18 Cl N3 O
• SMILES: CCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(cc1)Cl
• Title of publication: (<i>Z</i>)-4-Benzylidene-1-(4-chlorophenyl)-2-propylamino-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Ma, Rong-Ming; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2090 - o2091
• a: 10.915 ± 0.0007 Å
• b: 12.9335 ± 0.0008 Å
• c: 12.8701 ± 0.0008 Å
• α: 90°
• β: 103.331 ± 0.001°
• γ: 90°
• Cell volume: 1767.9 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes