Information card for entry 2219827

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-chloro-3-fluorobenzylidene)ethane-1,2-diamine
• Formula: C16 H12 Cl2 F2 N2
• Calculated formula: C16 H12 Cl2 F2 N2
• SMILES: Clc1ccc(cc1F)/C=N/CC/N=C/c1ccc(c(c1)F)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chloro-3-fluorobenzylidene)ethane-1,2-diamine
• Authors of publication: Kia, Reza; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2169
• a: 4.6542 ± 0.0001 Å
• b: 23.1343 ± 0.0006 Å
• c: 6.9961 ± 0.0002 Å
• α: 90°
• β: 107.063 ± 0.002°
• γ: 90°
• Cell volume: 720.12 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes