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Synthesis and crystal structure of ethyl

Heba A Elboshi¹, Rasha A Azzam¹, Galal H Elgemeie¹

¹Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.

Acta Crystallographica. Section E, Crystallographic Communications

|February 9, 2026

Abstract:

The mol-ecule of the title compound, C₂₁H₁₄N₂O₃S₂, 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 2₁ 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.

Keywords:

benzothiazole crystal structure hydrogen bonds π stacking

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