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3-(Benzothiazol-2-yl)-3-(prop-2-ynyl)hex-5-yn-2-one
The title compound, C(16)H(13)NOS, 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 sub...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983859/ https://www.ncbi.nlm.nih.gov/pubmed/21580680 http://dx.doi.org/10.1107/S1600536810009293 |
Sumario: | The title compound, C(16)H(13)NOS, 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. |
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