Information card for entry 2020324

Structure parameters

• Chemical name: <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-Bis(4-chlorophenyl)ethane-\ 1,2-diyl]bis(phenyldiazene)
• Formula: C26 H20 Cl2 N4
• Calculated formula: C26 H20 Cl2 N4
• SMILES: [C@@H](N=Nc1ccccc1)(c1ccc(cc1)Cl)[C@@H](N=Nc1ccccc1)c1ccc(cc1)Cl
• Title of publication: Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder
• Authors of publication: Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 57 - 62
• a: 6.1037 ± 0.0004 Å
• b: 9.3345 ± 0.0007 Å
• c: 10.4146 ± 0.0007 Å
• α: 83.039 ± 0.001°
• β: 77.139 ± 0.009°
• γ: 85.055 ± 0.001°
• Cell volume: 573.15 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes