Synthesis, Spectroscopic and Crystal Structure Studies on Ethyl 5,7-Dimethyl Coumarin-4-Acetate - Crystal Structure Theory and Applications

CSTA > Vol.2 No.2, June 2013

Crystal Structure Theory and Applications

Volume 2, Issue 2 (June 2013)

ISSN Print: 2169-2491 ISSN Online: 2169-2505

Google-based Impact Factor: 0.64 Citations

Synthesis, Spectroscopic and Crystal Structure Studies on Ethyl 5,7-Dimethyl Coumarin-4-Acetate ()

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DOI: 10.4236/csta.2013.22012 4,224 Downloads 8,557 Views Citations

Author(s)

Kiran K. Pujar, G. N. Anilkumar, Manohar V. Kulkarni

Affiliation(s)

Department of Chemistry, Karnatak University, Dharwad, India.
M S Ramaiah Institute of Technology, Department of Physics, Bangalore, India.

ABSTRACT

Ethyl ester of 5,7-dimethyl coumarin-4-acetic acid has been synthesized from 3,5-Xylenol in a two step sequence of reaction involving Pechmann cyclisation and acid catalyzed esterification. The title compound 2 crystallizes in Monoclinic form, space group P 1 21/c 1, with a = 8.6248(4) ?, b = 18.9103(8) , c = 8.4204(4)?, β = 101.241(2）?, V = 1347.00(11) ?, D cal = 1.283 Mg/cm3, Z = 4. The molecule is stabilized by intermolecular C-H … O bonds.

KEYWORDS

Coumarin-4-Acetic acid Ethyl Ester; X-Ray Diffraction

Share and Cite:

Pujar, K. , Anilkumar, G. and Kulkarni, M. (2013) Synthesis, Spectroscopic and Crystal Structure Studies on Ethyl 5,7-Dimethyl Coumarin-4-Acetate. Crystal Structure Theory and Applications, 2, 88-92. doi: 10.4236/csta.2013.22012.

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