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

ABSTRACT: 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.

SUBMITTER: Baryala Y 

PROVIDER: S-EPMC2983859 | biostudies-other | 2010

REPOSITORIES: biostudies-other