Information card for entry 2242683

Structure parameters

• Chemical name: 4-Bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol
• Formula: C13 H8 Br2 F N3 O3
• Calculated formula: C13 H8 Br2 F N3 O3
• SMILES: Brc1ccc(N(=O)=O)c(N/N=C/c2cc(Br)c(F)cc2O)c1
• Title of publication: Synthesis, crystallographic analysis and Hirshfeld surface analysis of 4-bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol
• Authors of publication: Yaman, Mavise; Aydemir, Ercan; Dege, Necmi; Agar, Erbil; Iskenderov, Turganbay S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1628 - 1632
• a: 16.136 ± 0.0014 Å
• b: 4.1745 ± 0.0003 Å
• c: 21.468 ± 0.002 Å
• α: 90°
• β: 95.026 ± 0.007°
• γ: 90°
• Cell volume: 1440.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes