2,4‐Dimethyl‐1,3‐thiazole‐5‐carboxylic acid: an X‐ray structural study at 100 K and Hirshfeld surface analysis |
| |
Authors: | Dipak K Hazra Monika Mukherjee Madeleine Helliwell Alok K Mukherjee |
| |
Abstract: | The crystal structure of the title thiazolecarboxylic acid derivative, C6H7NO2S, (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)R22(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. |
| |
Keywords: | |
|
|