2-羟基-亚氨基-2-(吡啶-2-基)-N'-[1-(吡啶-2-基)亚乙基]乙酰肼的晶体结构
Crystal structure of 2-hy-droxy-imino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethyl-idene]acetohydrazide.
作者信息
Plutenko Maxym O, Lampeka Rostislav D, Haukka Matti, Nordlander Ebbe
机构信息
Department of Chemistry, National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kyiv, Ukraine.
Department of Chemistry, University of Jyvaskyla, PO Box 35, FI-40014 Jyvaskyla, Finland.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 29;70(Pt 12):584-6. doi: 10.1107/S1600536814025793. eCollection 2014 Dec 1.
The mol-ecule of the title compound, C14H13N5O2, is approximately planar (r.m.s deviation for all non-H atoms = 0.093 Å), with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. The oxime group is syn to the amide group, probably due to the formation of an intra-molecular N-H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of bifurcated O-H⋯(O,N) hydrogen bonds, forming inversion dimers. The latter are linked via C-H⋯O and C-H⋯N hydrogen bonds, forming sheets lying parallel to (502). The sheets are linked via π-π stacking inter-actions [inter-centroid distance = 3.7588 (9) Å], involving the pyridine rings of inversion-related mol-ecules, forming a three-dimensional structure.
标题化合物C₁₄H₁₃N₅O₂的分子近似平面结构（所有非H原子的均方根偏差 = 0.093 Å），两个吡啶环的平面相互倾斜5.51 (7)°。肟基与酰胺基为顺式构型，这可能是由于形成了一个分子内N-H⋯N氢键，该氢键形成了一个S(6)环模式。在晶体中，分子通过成对的分叉O-H⋯(O,N)氢键相连，形成倒转二聚体。后者通过C-H⋯O和C-H⋯N氢键相连，形成平行于(502)的片层。这些片层通过π-π堆积相互作用[质心间距 = 3.7588 (9) Å]相连，涉及倒转相关分子的吡啶环，形成三维结构。
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