Information card for entry 2216679

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,3-dichlorobenzylidene)ethylenediamine
• Formula: C16 H12 Cl4 N2
• Calculated formula: C16 H12 Cl4 N2
• SMILES: Clc1c(cccc1Cl)/C=N/CC/N=C/c1cccc(c1Cl)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,3-dichlorobenzylidene)ethylenediamine
• Authors of publication: Khaniani, Yeganeh; Badiei, Alireza; Mohammadi Ziarani, Ghodsi; Abbasi, Alireza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4616 - o4616
• a: 7.5695 ± 0.0009 Å
• b: 12.0686 ± 0.0013 Å
• c: 9.1636 ± 0.0007 Å
• α: 90°
• β: 101.637 ± 0.009°
• γ: 90°
• Cell volume: 819.92 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.1315
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes