Information card for entry 7202647

Structure parameters

• Common name: 2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct
• Chemical name: 2,6-dimethylpyridine pentafluoroiodobenzene 1/1 adduct
• Formula: C13 H9 F5 I N
• Calculated formula: C13 H9 F5 I N
• SMILES: c1(c(c(c(F)c(c1F)F)F)F)I.c1(cccc(n1)C)C
• Title of publication: Co-crystals of iodopentafluorobenzene with nitrogen donors: 2-D molecular assemblies through halogen bonding and aryl?perfluoroaryl interactions
• Authors of publication: Aleksandra Wasilewska; Maria Gdaniec; Tadeusz Połoński
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 203
• a: 7.3936 ± 0.0009 Å
• b: 15.4467 ± 0.0019 Å
• c: 12.0105 ± 0.0013 Å
• α: 90°
• β: 90.881 ± 0.01°
• γ: 90°
• Cell volume: 1371.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No