3-(Benzothiazol-2-yl)-3-(prop-2-ynyl)hex-5-yn-2-one

Abstract

The title compound, C16H13NOS, was prepared by alkyl­ation of 1-(benzothia­zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol­ecules that are crystallographically independent but linked to each other by non-classical C—H⋯O hydrogen bonds, building up a dimeric substructure. The benzothia­zole rings are essentially planar with maximum deviations of 0.005 (1) and 0.007 (2) Å for the N atoms. Although the two mol­ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia­zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter­molecular C—H⋯O inter­actions link the dimeric subunits into a two-dimensional array in the bc plane.

2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol

“…The benzothiazole moiety (S1/N1/C1-C7) is essentially planar[maximum deviation = -0.0099 (5) Å for the S atom] and lies at an angle 4.8 (5)° with respect to the benzene ring. The geometric parameters of the title molecule agrees well with those reported for similar structures (Baryala et al, 2010, Zhang et al, 2008.…”

“…For the pharmacological activity of benzothiazole derivatives, see: Repiĉ et al (2001); Schwartz et al (1992). For related structures, see: Baryala et al (2010); Zhang et al (2008). For hydrogen-bond motifs, see: Bernstein et al (1995).…”

2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzothiazole

“…(Cremer & Pople, 1975), q 2 = 0.0882 (16) Å and φ 2 = 143.8 (1)°. The geometric parameters of the title molecule agree well with those reported for similar structures (Baryala et al, 2010;Zhang et al, 2008).…”

“…For ring puckering analysis, see : Cremer & Pople (1975). For related structures, see: Baryala et al (2010); Zhang et al (2008).…”