2,4-Dimethyl-1,3-thiazole-5-carboxylic acid: an X-ray structural study at 100 K and Hirshfeld surface analysis.
Acta Crystallogr C, 2012/11;68(Pt 11):o452-5.
Hazra DK[1], Mukherjee M, Helliwell M, Mukherjee AK
Affiliations
PMID: 23124461DOI: 10.1107/S010827011204142X
Abstract
The crystal structure of the title thiazolecarboxylic acid derivative, C(6)H(7)NO(2)S, (I), has been determined from single-crystal X-ray analysis at 100 K. In the crystal packing, an interplay of O-H···N and C-H···O hydrogen bonds connects the molecules to form C(6)R(2)(2)(8) polymeric chains, which are further linked via weak C-H···O hydrogen bonds into a two-dimensional supramolecular framework. The relative contributions of different interactions to the Hirshfeld surface in (I) and a few related thiazolecarboxylic acid derivatives indicate that the H···H, N···H and O···H contacts can account for about 50-70% of the total Hirshfeld surface area in this class of compound.
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