Information card for entry 2243873

Structure parameters

• Common name: 1,3-Bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene
• Chemical name: (<i>E</i>)-[2,2-Dichloro-1-(3-{2,2-dichloro-1-[(<i>E</i>)-2-phenyldiazen-1-yl]ethenyl}phenyl)ethenyl](phenyl)diazene
• Formula: C22 H14 Cl4 N4
• Calculated formula: C22 H14 Cl4 N4
• SMILES: ClC(=C(/N=N/c1ccccc1)c1cc(ccc1)C(=C(Cl)Cl)/N=N/c1ccccc1)Cl
• Title of publication: Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene
• Authors of publication: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Ahmadova, Nigar E.; Askerov, Rizvan K.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 8
• Pages of publication: 814 - 818
• a: 16.0289 ± 0.001 Å
• b: 13.1213 ± 0.0008 Å
• c: 11.1286 ± 0.0007 Å
• α: 90°
• β: 108.073 ± 0.002°
• γ: 90°
• Cell volume: 2225.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes