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N,N'-双(4-羟基苯基)吡啶-2,6-二甲酰胺二甲基甲酰胺单溶剂合物

N,N'-Bis(4-hy-droxy-phen-yl)pyridine-2,6-dicarboxamide di-methyl-formamide monosolvate.

作者信息

Waris Ghulam, Siddiqi Humaira Masood, Flörke Ulrich, Hussain Rizwan, Butt M Saeed

机构信息

Department of Chemistry, Quaid-I-Azam University, Islamabad 45320, Pakistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):o991. doi: 10.1107/S1600536813013810. Print 2013 Jun 1.

Abstract

The mol-ecular structure of the pyridine derivative, C19H15N3O4·C3H7NO, shows almost planar geometry with dihedral angles of 6.9 (1) and 13.4 (1)° between the pyridine ring and the two benzene rings. This conformation is stabilized by two intra-molecular N-H⋯N(pyridine) bonds. In the crystal, strong O-H⋯O(carboxamide) and N-H⋯O(hy-droxy-phen-yl) hydrogen bonds link the mol-ecules, forming a three-dimensional structure. The di-methyl-formamide solvent mol-ecules are not involved in the hydrogen bonding. The structure shows pseudosymmetry, but refinement in the space group Pbcn leads to significantly worse results and a disordered di-methyl-formamide mol-ecule.

摘要

吡啶衍生物C19H15N3O4·C3H7NO的分子结构显示出几乎平面的几何形状,吡啶环与两个苯环之间的二面角分别为6.9 (1)°和13.4 (1)°。这种构象通过两个分子内N-H⋯N(吡啶)键得以稳定。在晶体中,强的O-H⋯O(羧酰胺)和N-H⋯O(羟基苯基)氢键连接分子,形成三维结构。二甲基甲酰胺溶剂分子不参与氢键形成。该结构显示出假对称性,但在空间群Pbcn中精修会导致明显更差的结果以及一个无序的二甲基甲酰胺分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/64ba/3685123/ecf7816ae575/e-69-0o991-fig1.jpg

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