Information card for entry 7156076

Structure parameters

• Chemical name: (4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone
• Formula: C20 H13 Cl N2 O
• Calculated formula: C20 H13 Cl N2 O
• SMILES: Clc1ccc(C(=O)c2c(n3c(n2)cccc3)c2ccccc2)cc1
• Title of publication: Iodine-NH₄OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.
• Authors of publication: Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 1330 - 1336
• a: 6.3278 ± 0.0005 Å
• b: 13.3923 ± 0.001 Å
• c: 18.8088 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1593.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No