Zwitterionic 4-carboxy-2-(pyridinium-2-yl)-1H-imidazole-5-carboxylate
| Autor: | Xiao-Jin Qi, Kang-Long Zhang, Bing-Nian Yuan |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2016 |
| Předmět: |
crystal structure
Stereochemistry Hydrogen bond hydrogen-bonded dimer General Medicine Crystal structure Dihedral angle 010402 general chemistry 010403 inorganic & nuclear chemistry Ring (chemistry) 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Crystallography Deprotonation chemistry Pyridine lcsh:QD901-999 Imidazole zwitterionic compound Pyridinium lcsh:Crystallography potential ligands |
| Zdroj: | IUCrData, Vol 1, Iss 10, p x161641 (2016) |
| ISSN: | 2414-3146 |
| Popis: | The title compound, C10H7N3O4, is zwitterionic, with one carboxyl group deprotonated and the pyridyl group protonated. The pyridine ring is close to coplanar with the imidazole ring, making a dihedral angle of 2.79 (8)°, this conformation being maintained by the presence of an intramolecular O—H...O hydrogen bond. In the crystal, two sets of N—H...O hydrogen bonds link the molecules through three conjoined cyclic hydrogen-bonding interactions, with two R 1 2(7) and one R 2 2(10) motifs, forming centrosymmetric cyclic dimers. These are linked through C—H...O hydrogen bonds, giving a supramolecular chain structure extending along the b-axis direction. |
| Databáze: | OpenAIRE |
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