Information card for entry 2219218

Structure parameters

• Chemical name: <i>N</i>,<i>N'</i>-Bis[2-chloro-5-(trifluoromethyl)benzylidene]ethane-1,2-diamine
• Formula: C18 H12 Cl2 F6 N2
• Calculated formula: C18 H12 Cl2 F6 N2
• SMILES: Clc1ccc(cc1/C=N/CC/N=C/c1c(Cl)ccc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis[2-chloro-5-(trifluoromethyl)benzylidene]ethane-1,2-diamine
• Authors of publication: Fun, Hoong-Kun; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1722 - o1723
• a: 35.7299 ± 0.0008 Å
• b: 4.6663 ± 0.0001 Å
• c: 27.1134 ± 0.0006 Å
• α: 90°
• β: 127.851 ± 0.002°
• γ: 90°
• Cell volume: 3569.44 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes