Information card for entry 7155108

Structure parameters

• Formula: C15 H9 I N2 S
• Calculated formula: C15 H9 I N2 S
• SMILES: Ic1nc2sc3c(n2c1c1ccccc1)cccc3
• 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: 10.5054 ± 0.0006 Å
• b: 13.8935 ± 0.0009 Å
• c: 14.8405 ± 0.001 Å
• α: 102.826 ± 0.004°
• β: 105.411 ± 0.004°
• γ: 94.441 ± 0.004°
• Cell volume: 2014.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No