Crystal structure of N-hy-droxy-picolinamide monohydrate
| Autor: | Kateryna A. Ohui, Inna S. Safyanova, Irina V. Omelchenko |
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| Rok vydání: | 2015 |
| Předmět: |
crystal structure
Stereochemistry Stacking Crystal structure Dihedral angle 010402 general chemistry Ring (chemistry) 01 natural sciences Research Communications lcsh:Chemistry chemistry.chemical_compound Group (periodic table) π–π stacking interactions Pyridine General Materials Science 010405 organic chemistry Chemistry Hydrogen bond General Chemistry Condensed Matter Physics 0104 chemical sciences 3. Good health Crystallography hydroxamic acids lcsh:QD1-999 hydrogen bonds π–π stacking interactions |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 2, Pp 117-119 (2016) |
| ISSN: | 2056-9890 |
| Popis: | In C6H6N2O2·H2O, the N-hydroxypicolinamide molecule adopts a strongly flattened conformation. O—H⋯O interactions and π–π stacking interactions between the pyridine rings organize the crystal components into columns extending along the b axis while N—H⋯N hydrogen bonds link these columns into a two-dimensional framework parallel to (100). The crystal structure of the title compound, C6H6N2O2·H2O, consists of N-hydroxypicolinamide and water molecules connected through O—H⋯O and N—H⋯N hydrogen bonds. The O—H⋯O interactions and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.427 (1) Å] organize the components into columns extending along the b axis and the N—H⋯N hydrogen bonds link these columns into a two-dimensional framework parallel to (100). The N-hydroxypicolinamide molecule adopts a strongly flattened conformation and only the O—H group H atom deviates significantly from the molecule best plane. The dihedral angle between the hydroxamic group and the pyridine ring is 5.6 (2)°. The conformation about the hydroxamic group C—N bond is Z and that about the C—C bond between the pyridine and hydroxamic groups is E. |
| Databáze: | OpenAIRE |
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