Information card for entry 2232875

Structure parameters

• Chemical name: <i>rac</i>-4-{(<i>E</i>)-[1-Cyano-1-cyclohexyl-2-(1<i>H</i>-indol- 3-yl)ethyl]iminomethyl}benzonitrile
• Formula: C25 H24 N4
• Calculated formula: C25 H24 N4
• SMILES: [nH]1c2ccccc2c(c1)CC(C#N)(C1CCCCC1)/N=C/c1ccc(cc1)C#N
• Title of publication: <i>rac</i>-4-{(<i>E</i>)-[1-Cyano-1-cyclohexyl-2-(1<i>H</i>-indol-3-yl)ethyl]iminomethyl}benzonitrile
• Authors of publication: Letessier, Julien; Schollmeyer, Dieter; Detert, Heiner; Opatz, Till
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3435
• a: 9.0755 ± 0.0006 Å
• b: 10.4546 ± 0.0008 Å
• c: 11.8246 ± 0.0008 Å
• α: 92.958 ± 0.006°
• β: 105.995 ± 0.005°
• γ: 99.505 ± 0.006°
• Cell volume: 1058.09 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes