Information card for entry 2218428

Structure parameters

• Chemical name: 2-(1,3-Dibenzylimidazolidin-2-ylidene)malononitrile
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: N1(C(N(Cc2ccccc2)CC1)=C(C#N)C#N)Cc1ccccc1
• Title of publication: 2-(1,3-Dibenzylimidazolidin-2-ylidene)malononitrile
• Authors of publication: Feng, Xiao-Zhong; Yan, Fu-Feng; Li, Zhen-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1120
• a: 15.445 ± 0.003 Å
• b: 9.753 ± 0.002 Å
• c: 11.411 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes