Information card for entry 2224929

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2-fluorobenzylidene]-1-(2- fluorophenyl)methanediamine
• Formula: C21 H15 F3 N2
• Calculated formula: C21 H15 F3 N2
• SMILES: Fc1c(C(/N=C/c2c(F)cccc2)/N=C/c2c(F)cccc2)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-2-fluorobenzylidene]-1-(2-fluorophenyl)methanediamine
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o422 - o423
• a: 8.0215 ± 0.0005 Å
• b: 9.374 ± 0.0004 Å
• c: 11.9744 ± 0.0006 Å
• α: 99.184 ± 0.004°
• β: 93.179 ± 0.005°
• γ: 108.165 ± 0.005°
• Cell volume: 839.23 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes