Information card for entry 1540746

Structure parameters

• Common name: Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate
• Chemical name: Methyl 2-(2-(4-fluorobenzoyl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)acetate
• Formula: C19 H14 F2 N2 O3
• Calculated formula: C19 H14 F2 N2 O3
• SMILES: c1(ccc(cc1)c1cnc(C(=O)c2ccc(cc2)F)n1CC(=O)OC)F
• Title of publication: Divergent Reactivity of Amino Acid Alkyl Ester Hydrochlorides with 2-Oxoaldehydes: Role of Selenium Dioxide To Promote Regioselective Synthesis of Imidazoles.
• Authors of publication: Padala, Anil K.; Kumar, Raju Ranjith; Athimoolam, S.; Ahmed, Qazi Naveed
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 96 - 99
• a: 14.3558 ± 0.0014 Å
• b: 4.7227 ± 0.0004 Å
• c: 24.973 ± 0.002 Å
• α: 90°
• β: 105.882 ± 0.004°
• γ: 90°
• Cell volume: 1628.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1071
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No