Information card for entry 7155107

Structure parameters

• Formula: C14 H11 I N2
• Calculated formula: C14 H11 I N2
• SMILES: Ic1n2cccc(c2nc1c1ccccc1)C
• Title of publication: Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.
• Authors of publication: Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5073 - 5078
• a: 8.2657 ± 0.0004 Å
• b: 14.1996 ± 0.0006 Å
• c: 21.2896 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.75 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No