Synthesis and X-Ray Crystallographic Analysis of 2-(2, 4-Dimethyl Pyrrolyl) Benzothiazole |
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Authors: | Rajnikant Sabeta Kohli M B Deshmukh Kamni |
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Institution: | (1) X-ray Crystallography Laboratory, Department of Physics, University of Jammu, Jammu Tawi, 180006, India;(2) Department of Chemistry, Shivaji University, Kolhapur, 416004, India;(3) College of Sciences, Shri Mata Vaishno Devi University, Udhampur, Jammu and Kashmir, 182301, India |
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Abstract: | Abstract Synthesis of 2- (2, 4-dimethyl pyrrolyl) benzothiazole by chemical means and molecular structure by X-ray crystallographic
techniques is reported. The compound crystallizes in the orthorhombic crystal system with space group Pbca and unit cell parameters:
a = 12.161(9), b = 0.787(1), c = 16.792(2) Ǻ, V = 2202.8(4) Ǻ3 and Z = 8. The final reliability index is 0.073 for 7,959 observed reflections. The benzothiazole and pyrrole rings exist in planar
conformations. The dihedral angle between the least-squares planes of both these moieties is 13.31°. There exists an isolated
C4–H4···N1 intermolecular interaction, besides two C–H···S and C–H···N intermolecular interactions. The presence of C–H···S
and C–H···N intramolecular interactions make the present molecule look like a virtual two-six-membered and three-five-membered
ring structure. |
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