X-ray structure analysis of 3-chloro-7-hydroxy-4- methyl-chroman-2-one
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Abstract
The title compound crystallizes in the monoclinic space group P21/c, with unit cell parameters a=7.7203(3), b=14.0481(4), c=8.9066(3) Å, â=112.858(5)º, V= 890.11(5) Å3 and Z = 4. The structure has been solved by direct methods and the final R-factor is 0.0433 for 2832 unique reflections. The molecule, as such, is planar and the planarity is confirmed by the magnitude of dihedral angles between the two rings. Extensive Hydrogen-bonding has been observed and chlorine atom is responsible for the formation of trifurcated hydrogen-bond. Trifurcated hydrogen-bond plays a significant role in the design and synthesis of molecules having drug implications.
Article Details
Article Details
Coumarin, Crystal structure, Direct methods, Hydrogen bonding, X-ray crystallography
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