X-ray structure and activity analysis of 3-bromomethyl -2-chloro-quinoline

Abstract

Abstract:The structure of 3-bromomethyl-2-chloro-quinoline crystallizes in the triclinic crystal space group P'1 with unit cell parameters a=6.587(2), b=7.278(3), c=10.442(3) Å, a= 83.59(3)°, b= 75.42(2)°, g= 77.39(3)°, Z= 2, V= 471.9(3)Å 3 . The structure has converged to a final R-value of 0.0734. The phenyl Ring-B has normal geometry while the pyridine Ring-A has slightly distorted conformation. The asymmetry parameter calculations, i.e., DC 2 and DC s for the pyridine ring indicates that the structure is planar. There exists one intramolecular hydrogen bonded interaction of the type C-H…Cl and one C-H…N intermolecular interaction. The structure is stabilized by Van der Waals forces.