Information card for entry 2313050

Structure parameters

• Common name: (2<i>E</i>)-4-Bromo-3-[(5-bromothiophen-2-yl)methylidene]-2-(dicyanomethylidene)-5,6-difluoro-2,3-dihydroinden-1-one
• Chemical name: 2-{4-Bromo-3-[(<i>E</i>)-(5-bromothiophen-2-yl)methylidene]-5,6-difluoro-1-oxoinden-2-ylidene}propanedinitrile
• Formula: C17 H4 Br2 F2 N2 O S
• Calculated formula: C17 H4 Br2 F2 N2 O S
• Title of publication: Crystal structure of 4-bromo-3-[(5-bromo-thio-phen-2-yl)methyl-idene]-2-(di-cyano-methyl-idene)-5,6-di-fluoro-2,3-di-hydro-inden-1-one.
• Authors of publication: Cao, Sunyu; Chen, Xiaofeng; Yu, Zhipeng
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 596 - 599
• a: 22.9059 ± 0.0008 Å
• b: 5.6693 ± 0.0002 Å
• c: 25.9096 ± 0.0009 Å
• α: 90°
• β: 108.971 ± 0.004°
• γ: 90°
• Cell volume: 3181.9 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No