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Synthesis, Crystal Structure and Biological Activity of 1-Cyano-N-(4-bromophenyl)cyclopropanecarboxamide

机译:1-氰基-N-(4-溴苯基)环丙烷甲酰胺的合成,晶体结构和生物活性

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摘要

A cyclopropane derivative, 1-cyano-N-(4-bromophenyl)cyclopropanecarboxamide (C_(11)H9N2OBr) was synthesized and its structure was studied by X-ray diffraction, FTIR, ~1H NMR spectrum and MS. The crystal is triclinic, space group P-1 with a = 8.902(4), b = 10.944(5), c = 12.733(6) A, α = 103.753(8), β = 106.812(9), γ = 104.004(9)°, V = 1087.1(9) A~3, Z = 4, F(000) = 528, D_c = 1.620 g/cm~3, the final R = 0.0604 and wR = 0.1197. A total of 5404 reflections were collected of which 3790 were independent (R_(int) = 0.0578). There are two intramolecular hydrogen bonds in the crystal lattice. The preliminary biological test showed that the synthesized compound had weak activity against the KARI of Escherichia coli.
机译:合成了环丙烷衍生物1-氰基-N-(4-溴苯基)环丙烷甲酰胺(C_(11)H9N2OBr),并通过X射线衍射,FTIR,〜1H NMR谱和MS研究了其结构。晶体为三斜晶,空间群P-1,a = 8.902(4),b = 10.944(5),c = 12.733(6)A,α= 103.753(8),β= 106.812(9),γ= 104.004 (9)°,V = 1087.1(9)A〜3,Z = 4,F(000)= 528,D_c = 1.620g / cm〜3,最终R = 0.0604,wR = 0.1197。总共收集到5404个反射,其中3790个是独立的(R_(int)= 0.0578)。晶格中有两个分子内氢键。初步的生物学测试表明,所合成的化合物对大肠杆菌的KARI活性较弱。

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