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Synthesis and crystal structure of methyl 2-(2,4-dichloro-5-fluorobenzoyl)-3-(pyrimidin-2-ylamino) acrylate

机译:2-(2,4-二氯-5-氟苯甲酰基)-3-(嘧啶-2-基氨基)丙烯酸甲酯的合成及晶体结构

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摘要

Methyl 2-(2,4-dichloro-5-fluorobenzoyl)-3-(pyrimidin-2-ylamino) acrylate has been prepared. Its crystal structure is discussed. The compound crystallizes in the triclinic space group P-1 with a = 11.6259 (7) ?, b = 11.8789 (7) ?, c = 13.9206 (5) ?, α = 68.0250 (10) °, β = 77.5660 (10) °, γ = 62.4950 (10) °, V = 1579.18(14)?~3, Z = 4. There are two independent but chemically identical molecules in the asymmetric unit. The molecules are packed in the crystal structure by weak intermolecular C-H...O and C-H...F interactions.
机译:已经制备了2-(2,4-二氯-5-氟苯甲酰基)-3-(嘧啶-2-基氨基)丙烯酸甲酯。讨论了其晶体结构。该化合物在三斜晶空间群P-1中以a = 11.6259(7)α,b = 11.8789(7)α,c = 13.9206(5)α,α= 68.0250(10)°,β= 77.5660(10)结晶°,γ= 62.4950(10)°,V = 1579.18(14)?〜3,Z =4。在不对称单元中有两个独立但化学上相同的分子。分子通过弱分子间C-H ... O和C-H ... F相互作用堆积在晶体结构中。

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