Information card for entry 7128177

Structure parameters

• Formula: C11 H10 Cl2 I N
• Calculated formula: C11 H10 Cl2 I N
• SMILES: [I](Cl)(Cl)c1ccccc1.n1ccccc1
• Title of publication: On the activation of PhICl₂ with pyridine.
• Authors of publication: Poynder, Tiffany B.; Chamorro Orué, Analia I; Tania, ?; Sharp-Bucknall, Lachlan; Flynn, Matthew T.; Wilson, David J. D.; Athukorala Arachchige, Kasun S.; Clegg, Jack K.; Dutton, Jason L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 40
• Pages of publication: 4970 - 4973
• a: 8.9394 ± 0.0003 Å
• b: 15.5397 ± 0.0004 Å
• c: 9.5747 ± 0.0003 Å
• α: 90°
• β: 107.339 ± 0.004°
• γ: 90°
• Cell volume: 1269.63 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No