Crystal Structure of Ethyl 1-(4-Fluorophenyl)-4-Phenyl-1H
Z. Kristallogr. - N. Cryst. Struct. 2021; 236(5): 1063–1064 Hong-Yu Song, Shan Liu, Bo-Nan Zhang, Qi-Di Zhong and Ya-Juan Qi* Crystal structure of ethyl 1-(4-fluorophenyl)- 4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2 Table : Data collection and handling. Crystal: Colorless block Size: . × . × . mm Wavelength: Mo Kα radiation (. Å) μ: . mm− Diffractometer, scan mode: Bruker APEX-II, φ and ω θmax, completeness: .°, % N(hkl)measured, N(hkl)unique, Rint: , , . Criterion for Iobs, N(hkl)gt: Iobs > σ(Iobs), N(param)refined: Programs: Bruker [], SHELX [, ] Source of material A 500 mL round-bottom flask was sequentially filled with 3.33 g (30 mmol) 4-fluoroaniline, 2.94 g (30 mmol) ethyl propiolate, 3.96 g (30 mmol) cinnamaldehyde, 1.03 g https://doi.org/10.1515/ncrs-2021-0219 (12 mmol) piperazine, 0.04 g (0.24 mmol) p-toluene- Received May 31, 2021; accepted June 28, 2021; sulfonic acid and 200 mL 1,2-dichloroethane. The mixture published online July 14, 2021 was slowly heated to 356 K for 12 h. After the reaction, the mixture was cooled to room temperature. Two-hun- Abstract dred milliliters of water were slowly added, extracted with C19H16FNO2, monoclinic, P21/c (no. 14), a =10.805(7)Å, ethyl acetate for three times (100 mL/time), the organic β ° b =20.984(13)Å,c =7.034(4)Å, =93.386(13) , V =1592.0(17), layer was separated, washed with saturated sodium 2 Z =4,Rgt(F) = 0.0561, wRref (F ) = 0.1336, T = 296 K. chloride solution for two times (100 mL/time), and the CCDC no.: 2086189 organic layers were combined.
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