Information card for entry 2242828

Structure parameters

• Chemical name: (<i>E</i>)-1-[2,2-Dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene
• Formula: C14 H8 Cl2 F N3 O2
• Calculated formula: C14 H8 Cl2 F N3 O2
• SMILES: ClC(=C(/N=N/c1ccc(F)cc1)c1ccc(N(=O)=O)cc1)Cl
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Bagirova, Khanim N.; Toze, Flavien A. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 237 - 241
• a: 15.8644 ± 0.0005 Å
• b: 7.2242 ± 0.0002 Å
• c: 12.7595 ± 0.0004 Å
• α: 90°
• β: 97.038 ± 0.002°
• γ: 90°
• Cell volume: 1451.32 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes