Information card for entry 2242878

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]\ diazene
• Formula: C14 H8 Cl3 F N2
• Calculated formula: C14 H8 Cl3 F N2
• SMILES: ClC(Cl)=C(/N=N/c1ccc(Cl)cc1)c1ccc(F)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-fluorophenyl)ethenyl]diazene
• Authors of publication: Shikhaliyev, Namiq Q.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bagirova, Khanim N.; Suleymanova, Gulnar T.; Toze, Flavien A. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 465 - 469
• a: 3.8617 ± 0.0008 Å
• b: 24.249 ± 0.005 Å
• c: 14.724 ± 0.003 Å
• α: 90°
• β: 94.3 ± 0.03°
• γ: 90°
• Cell volume: 1374.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes