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

Abstract

A cyclopropane derivative, 1-cyano-N-(4-bromophenyl)cyclopropanecarboxamide (C₁₁H₉N₂OBr) 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) Å, a = 103.753(8), b = 106.812(9), g = 104.004(9)°, V = 1087.1(9) ų, Z = 4, F(000) = 528, D_c = 1.620 g/cm³, 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.