Information card for entry 7156925

Structure parameters

• Formula: C12 H10 I N O
• Calculated formula: C12 H10 I N O
• Title of publication: The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.
• Authors of publication: Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 6809 - 6820
• a: 14.336 ± 0.007 Å
• b: 4.975 ± 0.002 Å
• c: 16.193 ± 0.008 Å
• α: 90°
• β: 106.346 ± 0.013°
• γ: 90°
• Cell volume: 1108.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No