Crystal structure of 3-[2-(4-methyl-phen-yl)ethyn-yl]-2H-chromen-2-one.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.

Published: February 2015

The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers via weak C-H⋯π inter-actions; these stack along the a axis.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384545PMC
http://dx.doi.org/10.1107/S2056989014027790DOI Listing

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