Information card for entry 2243907

Structure parameters

• Chemical name: (<i>E</i>)-1-[2,2-Dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene
• Formula: C16 H14 Cl2 N2 O
• Calculated formula: C16 H14 Cl2 N2 O
• SMILES: ClC(=C(/N=N/c1ccc(OC)cc1)c1ccc(cc1)C)Cl
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene
• Authors of publication: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Qacar, Ayten M.; Askerov, Rizvan K.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• Pages of publication: 965 - 970
• a: 5.5366 ± 0.0003 Å
• b: 17.9208 ± 0.0008 Å
• c: 16.2085 ± 0.0008 Å
• α: 90°
• β: 99.173 ± 0.002°
• γ: 90°
• Cell volume: 1587.65 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes