X-ray structure analysis of 3-chloro-7-hydroxy-4- methyl-chroman-2-one

Journal Title: Journal of Applied and Natural Science - Year 2011, Vol 3, Issue 1

Abstract

The title compound crystallizes in the monoclinic space group P2 1 /c, with unit cell parameters a= 7.7203(3), b=14.0481(4), c=8.9066(3) Å , β =112.858(5)º, V= 890.11(5) Å 3 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.

Authors and Affiliations

Sakshi Sharma, Sabeta Kohli, Rajnikant

Keywords

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  • EP ID EP121006
  • DOI 10.31018/jans.v3i1.150
  • Views 83
  • Downloads 0

How To Cite

Sakshi Sharma, Sabeta Kohli, Rajnikant (2011). X-ray structure analysis of 3-chloro-7-hydroxy-4- methyl-chroman-2-one. Journal of Applied and Natural Science, 3(1), 34-37. https://europub.co.uk./articles/-A-121006