Information card for entry 2023337

Structure parameters

• Formula: C15 H20 Br F4 I2 N
• Calculated formula: C15 H20 Br F4 I2 N
• SMILES: Ic1c(I)c(F)c(F)c(F)c1F.[Br-].[NH2+]1C(CCCC1(C)C)(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene
• Authors of publication: Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 29.0324 ± 0.0008 Å
• b: 9.1477 ± 0.0002 Å
• c: 15.0296 ± 0.0004 Å
• α: 90°
• β: 108.533 ± 0.001°
• γ: 90°
• Cell volume: 3784.56 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No