Safyanova Inna S, Ohui Kateryna A, Omelchenko Irina V
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.
Acta Crystallogr E Crystallogr Commun. 2016 Jan 6;72(Pt 2):117-9. doi: 10.1107/S2056989015024706. eCollection 2016 Feb 1.
The crystal structure of the title compound, C6H6N2O2·H2O, consists of N-hy-droxy-picolinamide and water mol-ecules connected through O-H⋯O and N-H⋯N hydrogen bonds. The O-H⋯O inter-actions and π-π stacking inter-actions 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-hy-droxy-picolinamide mol-ecule adopts a strongly flattened conformation and only the O-H group H atom deviates significantly from the mol-ecule 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.
标题化合物C6H6N2O2·H2O的晶体结构由通过O-H⋯O和N-H⋯N氢键相连的N-羟基吡啶甲酰胺和水分子组成。O-H⋯O相互作用以及吡啶环之间的π-π堆积相互作用[质心-质心距离 = 3.427 (1) Å]将各组分排列成沿b轴延伸的柱体，而N-H⋯N氢键将这些柱体连接成平行于(100)的二维框架。N-羟基吡啶甲酰胺分子呈强烈扁平的构象，只有O-H基团的H原子显著偏离分子的最佳平面。异羟肟酸基团与吡啶环之间的二面角为5.6 (2)°。异羟肟酸基团C-N键的构象为Z型，吡啶与异羟肟酸基团之间C-C键的构象为E型。
