Information card for entry 2219762

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis-(3,5-dichlorobenzylidene)ethane-1,2-diamine
• Formula: C16 H12 Cl4 N2
• Calculated formula: C16 H12 Cl4 N2
• SMILES: Clc1cc(/C=N/CC/N=C/c2cc(Cl)cc(c2)Cl)cc(c1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3,5-dichlorobenzylidene)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: 11
• Pages of publication: o2131
• a: 8.0539 ± 0.0003 Å
• b: 14.017 ± 0.0004 Å
• c: 7.5015 ± 0.0003 Å
• α: 90°
• β: 110.612 ± 0.001°
• γ: 90°
• Cell volume: 792.64 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0421
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes