Information card for entry 2243386

Structure parameters

• Chemical name: 4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C16 H14 Cl2 F N3
• Calculated formula: C16 H14 Cl2 F N3
• SMILES: c1(ccc(cc1)F)/N=N/C(=C(Cl)Cl)c1ccc(cc1)N(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Authors of publication: Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 811 - 815
• a: 6.073 ± 0.0003 Å
• b: 15.9782 ± 0.0009 Å
• c: 16.386 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.03 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes