Information card for entry 7114295

Structure parameters

• Common name: Benzaldehyde pentafluoromethylidenehydrazone
• Formula: C14 H7 F5 N2
• Calculated formula: C14 H7 F5 N2
• SMILES: Fc1c(F)c(F)c(F)c(F)c1/C=N/N=C/c1ccccc1
• Title of publication: Interplay of phenyl–perfluorophenyl stacking, C–H⋯F, C–F⋯π and F⋯F interactions in some crystalline aromatic azinesElectronic supplementary information (ESI) available: experimental powder X-ray diffraction spectra. See http://www.rsc.org/suppdata/cc/b2/b202181a/
• Authors of publication: Vangala, Venu R.; Nangia, Ashwini; Lynch, Vincent M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 1304
• a: 5.9053 ± 0.0002 Å
• b: 7.4709 ± 0.0003 Å
• c: 14.354 ± 0.0005 Å
• α: 102.927 ± 0.002°
• β: 92.143 ± 0.002°
• γ: 91.222 ± 0.002°
• Cell volume: 616.5 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No