Information card for entry 7225948

Structure parameters

• Formula: C12 H11 Br Cl F3 N2
• Calculated formula: C12 H11 Br Cl F3 N2
• SMILES: [Br-].Clc1cc(C(F)(F)F)cn2cc([n+](CC=C)c12)C
• Title of publication: Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions
• Authors of publication: Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4623
• a: 11.0563 ± 0.0012 Å
• b: 11.1805 ± 0.0012 Å
• c: 12.0711 ± 0.0012 Å
• α: 98.874 ± 0.009°
• β: 103.353 ± 0.009°
• γ: 103.781 ± 0.009°
• Cell volume: 1375 ± 0.3 ų
• Cell temperature: 120 ± 0.11 K
• Ambient diffraction temperature: 120 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No