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3-(Benzothia-zol-2-yl)-3-(prop-2-yn-yl)hex-5-yn-2-one. | LitMetric

The title compound, C(16)H(13)NOS, was prepared by alkyl-ation of 1-(benzothia-zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol-ecules that are crystallographically independent but linked to each other by non-classical C-H⋯O hydrogen bonds, building up a dimeric substructure. The benzothia-zole rings are essentially planar with maximum deviations of 0.005 (1) and 0.007 (2) Å for the N atoms. Although the two mol-ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia-zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter-molecular C-H⋯O inter-actions link the dimeric subunits into a two-dimensional array in the bc plane.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983859PMC
http://dx.doi.org/10.1107/S1600536810009293DOI Listing

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