Information card for entry 2244084

Structure parameters

• Chemical name: (<i>E</i>)-1-[2,2-Dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene
• Formula: C14 H8 Br2 F N3 O2
• Calculated formula: C14 H8 Br2 F N3 O2
• SMILES: BrC(=C(c1ccc(cc1)N(=O)=O)/N=N/c1ccc(cc1)F)Br
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 5
• Pages of publication: 530 - 535
• a: 16.0658 ± 0.0002 Å
• b: 7.0329 ± 0.0001 Å
• c: 12.7934 ± 0.0002 Å
• α: 90°
• β: 96.847 ± 0.0006°
• γ: 90°
• Cell volume: 1435.21 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes