2-羟基亚胺-2-(吡啶-2-基)- n '-[1-(吡啶-2-基)乙基]乙酰肼的晶体结构。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-29 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025793
Maxym O Plutenko, Rostislav D Lampeka, Matti Haukka, Ebbe Nordlander
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引用次数: 0

摘要

所述化合物C14H13N5O2的分子近似为平面(所有非h原子的均方根偏差= 0.093 Å),两个吡啶环的平面彼此倾斜5.51(7)°。肟基与酰胺基同步,可能是由于形成分子内N- h⋯N氢键形成S(6)环基序。在晶体中,分子由一对分叉的O- h⋯(O,N)氢键连接,形成倒置二聚体。后者通过C-H⋯O和C-H⋯N氢键连接,形成平行于(502)的薄片。薄片通过π-π堆叠相互作用连接[质心间距= 3.7588 (9)Å],涉及反转相关分子的吡啶环,形成三维结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystal structure of 2-hy-droxy-imino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethyl-idene]acetohydrazide.

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.

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来源期刊
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审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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