Information card for entry 2225558

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,2-diamine
• Formula: C17 H14 Cl4 N2
• Calculated formula: C17 H14 Cl4 N2
• SMILES: C[C@@H](/N=C/c1c(Cl)cccc1Cl)C/N=C/c1c(Cl)cccc1Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,2-diamine
• Authors of publication: Yeap, Chin Sing; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o753
• a: 4.2981 ± 0.0007 Å
• b: 12.995 ± 0.002 Å
• c: 15.728 ± 0.003 Å
• α: 90°
• β: 96.493 ± 0.003°
• γ: 90°
• Cell volume: 872.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes