Synthesis and crystal structure of ethyl 2-(1,3-benzo-thia-zol-2-yl)-1-oxo-1H-pyrido[2,1-b][1,3]benzo-thia-zole-4-carboxyl-ate

2-(1,3-苯并噻唑-2-基)-1-氧代-1H-吡啶并[2,1-b][1,3]苯并噻唑-4-羧酸乙酯的合成及晶体结构

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Abstract

The mol-ecule of the title compound, C(21)H(14)N(2)O(3)S(2), 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 via a 2(1) 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.

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