Information card for entry 7060545

Structure parameters

• Common name: ORGANIC
• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: Clc1ccc(cc1)c1nc2n(c1COCCO)ccc(Cl)c2
• Title of publication: Hypervalent iodine mediated synthesis of imidazo[1,2-a]pyridine ethers: consecutive methylene linkage and insertion of ethylene glycol
• Authors of publication: Kumar, Rahul; Rawat, Deepa; Semwal, Rashmi; Badhani, Gaurav; Adimurthy, Subbarayappa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7491 - 7495
• a: 14.5085 ± 0.0011 Å
• b: 6.9929 ± 0.0005 Å
• c: 14.8594 ± 0.0012 Å
• α: 90°
• β: 90.31 ± 0.002°
• γ: 90°
• Cell volume: 1507.6 ± 0.2 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No