Crystal structure of N-hydroxypicolinamide monohydrate

Acta Crystallographica Section E: Crystallographic Communications

Kateryna A. Ohui¹  Inna S. Safyanova¹  Irina V. Omelchenko² 

[1] Department of Chemistry, National Taras Shevchenko University of Kyiv, Volodymyrska Street 64, 01601 Kiev, Ukraine;SSI "Institute for Single Crystals", National Academy of Sciences of Ukraine, Lenina ave. 60, Kharkiv 61001, Ukraine;

关键词: crystal structure;    hydroxamic acids;    hydrogen bonds;    π–π stacking interactions;   

DOI  :  10.1107/S2056989015024706

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown