Information card for entry 2211759

Structure parameters

• Chemical name: 1,2-Bis[4-(trifluoromethyl)benzylidene]hydrazine
• Formula: C16 H10 F6 N2
• Calculated formula: C16 H10 F6 N2
• SMILES: FC(c1ccc(cc1)/C=N/N=C/c1ccc(cc1)C(F)(F)F)(F)F
• Title of publication: 1,2-Bis[4-(trifluoromethyl)benzylidene]hydrazine
• Authors of publication: Feng Xu; Wei-Xiao Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o289 - o290
• a: 8.03 ± 0.003 Å
• b: 7.903 ± 0.003 Å
• c: 24.074 ± 0.009 Å
• α: 90°
• β: 100.858 ± 0.012°
• γ: 90°
• Cell volume: 1500.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes