Synthesis and crystal structure of ethyl 2-(1,3-benzothiazol-2-yl)-1-oxo-1 <i>H</i> -pyrido[2,1- <i>b</i> ][1,3]benzothiazole-4-carboxylate
The mol-ecule of the title compound, C<sub>21</sub>H<sub>14</sub>N<sub>2</sub>O<sub>3</sub>S<sub>2</sub>, is approximately planar except for the terminal carbon atom of the ethyl group. The planarity is promoted by two short intra-molecular S⋯O=C contacts and one intra-molecular 'weak' C-H⋯O=C hydrogen bond. The two thia-zole rings show some appreciable differences in bond lengths and angles, associated with their different annelation patterns. The mol-ecular packing involves one 'weak' hydrogen bond of the type C-H⋯O=C, which links the mol-ecules in zigzag chains <i>via</i> a 2<sub>1</sub> screw axis along [010]. Additionally, 'stacked' pairs of mol-ecules, necessarily with parallel ring systems, are related by an inversion operator, and two π contacts C-H⋯π and C=O⋯π are observed.
Authors
- Rasha A. Azzam (ORCID: https://orcid.org/0000-0002-6807-2110)
- Elgemeie GH
- Heba A. Elboshi
- Peter Ward Jones
Institutions
- Helwan University (EG)
- Technische Universität Braunschweig (DE)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2026-01-13
- DOI
- https://doi.org/10.1107/s2056989026000204
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00