Information card for entry 7156182

Structure parameters

• Chemical name: C11H12I2N2
• Formula: C11 H12 I2 N2
• Calculated formula: C11 H12 I2 N2
• Title of publication: Metal-free C(sp²)-H functionalization of azoles: K₂CO₃/I₂-mediated oxidation, imination, and amination.
• Authors of publication: Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4243 - 4260
• a: 10.1088 ± 0.0011 Å
• b: 10.1122 ± 0.0011 Å
• c: 15.6369 ± 0.0016 Å
• α: 106.118 ± 0.004°
• β: 90.862 ± 0.004°
• γ: 117.901 ± 0.004°
• Cell volume: 1337.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No