Information card for entry 2219846

Structure parameters

• Chemical name: (<i>Z</i>)-4-[3-(2,5-Dioxoimidazolidin-4-ylidenemethyl)-1<i>H</i>-indol- 1-ylmethyl]benzonitrile
• Formula: C20 H14 N4 O2
• Calculated formula: C20 H14 N4 O2
• SMILES: n1(cc(c2ccccc12)/C=C/1NC(=O)NC1=O)Cc1ccc(cc1)C#N
• Title of publication: (<i>Z</i>)-4-[3-(2,5-Dioxoimidazolidin-4-ylidenemethyl)-1<i>H</i>-indol-1-ylmethyl]benzonitrile
• Authors of publication: Penthala, Narsimha Reddy; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2122
• a: 18.8495 ± 0.0016 Å
• b: 7.6812 ± 0.0007 Å
• c: 24.322 ± 0.002 Å
• α: 90°
• β: 110.939 ± 0.003°
• γ: 90°
• Cell volume: 3288.9 ± 0.5 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes