Title of article :
The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network
Author/Authors :
Ye, Naike Department of Chemistry - Vassar College, USA , Tanski, Joseph M. Department of Chemistry - Vassar College, USA
Abstract :
The title compound [systematic name: 5-(trifluoromethyl)pyridine-2-carboxylic acid monohydrate], C7H4F3NO2·H2O, is the acid hydrate of a pyridine with a carboxylic acid group and a trifluoromethyl substituent situated para to one another on the aromatic ring. The molecule forms a centrosymmetric water-bridged hydrogen-bonding dimer with graph-set notation R44 (12). Hydrogen-bonding distances of 2.5219 (11) and 2.8213 (11) Å are observed between the donor carboxylic acid and the bridging water acceptor, and the donor water and carbonyl oxygen acceptor, respectively. The dimers are further linked into a two-dimensional sheet via two longer intermolecular hydrogen-bonding interactions between the second hydrogen atom on the bridging water molecule and both a pyridine nitrogen atom and carbonyl oxygen with distances of 3.1769 (11) and 2.8455 (11) Å, respectively. The trifluoromethyl groups extend out the faces of the sheet providing for F⋯F and C—H⋯F contacts between the sheets, completing the three-dimensional packing.
Keywords :
crystal structure , hydrogen bonding , picolinic acid derivatives , trifluoromethyl group
Journal title :
Acta Crystallographica Section E: Crystallographic Communications