Journal of Applied and Natural Science 2(1):106-110(2010)
X-ray structure and activity analysis of 3-bromomethyl -2-chloro-quinoline
Rajnikant† , Sabeta Kohli, Garima Chhajer, Malathi, M* and P.S. Mohan*
†Chemical Crystallography Laboratory, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi - 180 006, INDIA
*Department of Chemistry, Bharathiar University, Coimbatore, (Tamil Nadu) INDIA
†Corresponding author. E-mail: firstname.lastname@example.org
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)Å3. 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., DC2 and DCs 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.
Keywords : Crystal structure, Activity, Quinoline, Hetereocyclic compounds, X-ray structure