Information card for entry 2219717

Structure parameters

• Common name: <i>N,N'</i>-Bis-(3-chloro-2-fluoro-benzylidene)-ethane-1,2-diamine
• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-chloro-2-fluorobenzylidene)ethane-1,2-diamine
• Formula: C16 H12 Cl2 F2 N2
• Calculated formula: C16 H12 Cl2 F2 N2
• SMILES: Fc1c(cccc1Cl)/C=N/CC/N=C/c1cccc(c1F)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-chloro-2-fluorobenzylidene)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: 10
• Pages of publication: o1916
• a: 7.2249 ± 0.0002 Å
• b: 11.3676 ± 0.0002 Å
• c: 10.3368 ± 0.0002 Å
• α: 90°
• β: 120.906 ± 0.001°
• γ: 90°
• Cell volume: 728.42 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes