Information card for entry 2211241

Structure parameters

• Chemical name: N,N'-Bis(2,6-dichlorobenzylidene)-p-phenylenediamine
• Formula: C20 H12 Cl4 N2
• Calculated formula: C20 H12 Cl4 N2
• SMILES: Clc1cccc(c1/C=N/c1ccc(cc1)/N=C/c1c(Cl)cccc1Cl)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)-<i>p</i>-phenylenediamine
• Authors of publication: Xu, Jun; Bao, Feng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5186 - o5187
• a: 4.1871 ± 0.0015 Å
• b: 14.709 ± 0.005 Å
• c: 15.702 ± 0.006 Å
• α: 90°
• β: 92.086 ± 0.004°
• γ: 90°
• Cell volume: 966.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes