Information card for entry 2215086

Structure parameters

• Chemical name: N,N'-Bis(2,6-dichlorobenzyl)ethylenediimine
• Formula: C16 H12 Cl4 N2
• Calculated formula: C16 H12 Cl4 N2
• SMILES: Clc1cccc(c1/C=N/CC/N=C/c1c(Cl)cccc1Cl)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzyl)ethylenediimine
• Authors of publication: Abbasi, Alireza; Badiei, Alireza; Khaniani, Yeganeh; Golchoubian, Hamid; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3773 - o3773
• a: 3.9704 ± 0.0005 Å
• b: 14.3246 ± 0.0013 Å
• c: 14.4926 ± 0.0014 Å
• α: 90°
• β: 90.201 ± 0.009°
• γ: 90°
• Cell volume: 824.25 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes