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The crystal structure of 5-(trifluoromethyl)picolinic acid monohydrate reveals a water-bridged hydrogen-bonding network
The title compound [systematic name: 5-(trifluoromethyl)pyridine-2-carboxylic acid monohydrate], C(7)H(4)F(3)NO(2)·H(2)O, 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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7643231/ https://www.ncbi.nlm.nih.gov/pubmed/33209347 http://dx.doi.org/10.1107/S2056989020013523 |
Sumario: | The title compound [systematic name: 5-(trifluoromethyl)pyridine-2-carboxylic acid monohydrate], C(7)H(4)F(3)NO(2)·H(2)O, 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 R (4) (4) (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. |
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