Information card for entry 2022791

Structure parameters

• Chemical name: (<i>E</i>)-1-[1-(4-<i>tert</i>-Butylphenyl)-2,2-dichloroethenyl]-2-\ (4-methylphenyl)diazene
• Formula: C19 H20 Cl2 N2
• Calculated formula: C19 H20 Cl2 N2
• SMILES: ClC(=C(/N=N/c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C)Cl
• Title of publication: Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-phenyldiazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methylphenyl)diazene, (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(4-methoxyphenyl)diazene and (E)-1-[1-(4-tert-butylphenyl)-2,2-dichloroethenyl]-2-(3-methylphenyl)diazene
• Authors of publication: Maharramov, Abel; Shikhaliyev, Namiq Q.; Qajar, Ayten; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 30.9062 ± 0.0006 Å
• b: 6.27248 ± 0.00005 Å
• c: 23.3475 ± 0.0004 Å
• α: 90°
• β: 127.223 ± 0.003°
• γ: 90°
• Cell volume: 3604.08 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes