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2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100 K and Hirshfeld surface analysis

Acta Cryst. (2012). C68, o452-o455 (

[Framework] Formation of the two-dimensional framework in thiazolecarboxylic acid derivative (I).

Single-crystal X-ray structure analysis of a new thiazolecarboxylic acid derivative, (I), determined using a high-quality data set collected at 100 K, shows an interplay of strong and weak hydrogen bonds. Three types of eight-, ten- and fifteen-member supramolecular synthons are edge-fused to form a two-dimensional framework in (I). Additional reinforcement within the framework is provided by S⋯S interactions. Intermolecular contacts in (I) are predominantly of H⋯H, N⋯H, O⋯H and S⋯H types, which can account for about 80% of the Hirshfeld surface area.

D. K. Hazra, M. Mukherjee, M. Helliwell and A. K. Mukherjee